| 1. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Optimization of nonlinear properties of C 6 O 6 Li 6-doped alkalides via group I/III doping for unprecedented charge transfer and advancements in optoelectronics,
Physical Chemistry Chemical Physics, 2025 |
| 2. |
Junaid Yaqoob,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Sobia Tabassum,Hamad AlMohamadi, Asim Khan, Muhammad Yasin, Mazhar Amjad Gilani
Exploring the Second-Order Polarizability of Copper Doped Silicon Carbide Nanocluster: Toward a New NLO Material,
Physica Scripta, 2023 |
| 3. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Hasnain Sajid,Mohammad Z Ahmed
Superalkalis fabricated octatellurio[8]circulenes as outstanding NLO materials; a DFT perspective,
Computational and Theoretical Chemistry, 2023 |
| 4. |
Abdulrahman Allangawi,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>, Haneen H. Shanaah,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Investigation of the cyclo[12]carbon nanoring and its analogues (Al6N6¬ and B6N6) as supports for the single atom catalysis of the hydrogen evolution reaction ,
Materials Science in Semiconductor Processing, 2023 |
| 5. |
Misbah Asif,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=2" title="Dr. Umar Farooq">U.Farooq</a>,Sana Qureshi,Hasnain Sajid,Naveen Kosar,Mazhar Amjad Gilani,Muhammad Arshad,Muhammad Azeem,Muhammad Akbar Shahid
Sensing performance of heptazine C3N4 quantum dot toward highly toxic environmental pollutants, amides and acetyl derivatives,
Journal of Inorganic and Organometallic Polymers and Materials, 2023 |
| 6. |
Aqsa Nisar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar Amjad Gilani,Sobia Tabassum, Hamad AlMohamadi, ,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Asim Laeeq Kham,Muhammad Yasin, R. Nawaz
Photoswitchable Nonlinear Optical Properties of Azobenzene-Based Supramolecular Complexes: Insights from Density Functional Theory,
Physical Chemistry Chemical Physics, 2023 |
| 7. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Sunaina Wajid,Mazhar Amjad Gilani, Nur Hazimah Binti Zainal Arfan, Malai Haniti Sheikh Abdul Hamid , Muhammad Imran ,Nadeem S. Sheikh
Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides,
Heliyon, 2023 |
| 8. |
Misbah Asif,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hasnain Sajid,Mazhar Amjad Gilani,Naeem Anwar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Therapeutic potential of oxo-triarylmethyl (oxTAM) as a targeted drug delivery system for Nitrosourea and Fluorouracil anticancer drugs; a first principles insight,
Journal of Molecular Graphics and Modelling, 2023 |
| 9. |
Abdurahman Allangawi,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mona A. Aziz Aljar,Ahmed Abd El-Fattah,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Removal of methylene blue by using sodium alginate-based hydrogel; validation of experimental findings via DFT calculations,
Journal of Molecular Graphics and Modelling, 2023 |
| 10. |
Misbah Asif,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Hasnain Sajid,Sana Qureshi, Mazhar Amjad Gilani
Boron-rich Triphenylene COF Based Electrides having Excellent Nonlinear Optical Activity,
Materials Science in Semiconductor Processing, 2023 |
| 11. |
Muhammad Nauman Zahid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Misbah Asif,Hasnain Sajid,Naveen Kosar, Muhammad Akbar Shahid,Abdulrahman Allangawi,Muhammad Azeem,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Therapeutic efficiency of B3O3 nanosheet as a targeted drug delivery system toward Foscarnet anti-HIV drug,
Computational and Theoretical Chemistry
, 2023 |
| 12. |
Satenik Mkrtchyan,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Vishal B Purohit, Spartak Khutsishvili,Jela Nociarova, Muhammad Yar,Simon Budzak, Marek Skorsepa, Viktor O Iaroshenko
Mechanochemical defluorinative acylation of ortho-hydroxyarylenaminones by CF3-compounds: Synthesis of 3-acylchromones,
Advanced Synthesis & Catalysis, 2023 |
| 13. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Sunaina Wajid,Mazhar Amjad Gilani
First, second and third order NLO response of alkaline earth metals doped C6O6Li6 organometallic complexes,
Chemical physics, 2023 |
| 14. |
Abdulrahman Allangawi,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Mazhar Amjad Gilani
First row transition metal doped B12P12 and Al12P12 nanocages as excellent single atom catalysts for the hydrogen evolution reaction,
International Journal of Hydrogen Energy, 2023 |
| 15. |
Uroosa Sohail,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Faizan Ullah, Nur Hazimah Binti Zainal Arfan,Nadeem S. Sheikh,Malai Haniti Sheikh Abdul Hamid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Transition Metal Sensing with Nitrogenated Holey Graphene: A
First-Principles Investigation,
Molecules, 2023 |
| 16. |
Muhammad Arshad,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Ahsan Sharif, Sobia tabassum, Mazhar Amjad Gilani
Diamondoid as Potential Nonlinear Optical Material by Superalkali Doping: A First Principles Study,
Diamond and Related Materials, 2023 |
| 17. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Laraib Zari,Mazhar Amjad Gilani
Giant NLO response and ultraviolet transparency of superalakalis decorated C6O6Li6 complexes; a DFT perspective,
Physica Scripta, 2023 |
| 18. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Sunaina Wajid
Excellent Static and dynamic hyperpolarizabilities of TM@C6O6Li6 (TM = Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications ,
Optik, 2023 |
| 19. |
Abdulrahman Allangawi,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Khadija Alsayed Jalal, Mazhar Amjad Gilani
Chemical sensing ability of aminated garphdiyne (GDY-NH2) toward highly toxic organic volatile pollutants,
Computational and Theoretical Chemistry, 2023 |
| 20. |
Abdulrahman Allangawi,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Hasnain Sajid,Mazhar Amjad Gilani, Mohammed Salim Akhter
High drug carrying efficiency of boron-doped Triazine based COF toward anti-cancer tegafur; a theoretical perspective,
Computational and Theoretical Chemistry , 2023 |
| 21. |
Abdulrahman Allangwai,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mazhar Amjad Gilani
Anchoring the late first row transition metals with B12P12 nanocage to act as single atom catalysts toward oxygen evolution reaction (OER),
Materials Science in Semiconductor Processing, 2023 |
| 22. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Maryium Bibi, Faizan Ullah, Mazhar Amjad Gilani, Mohammed Salim Akhter
Reversible H2 storage capacity of Ni functionalized carbyne (C10) complex,
Journal of Inorganic and Organometallic Polymers and Materials, 2022 |
| 23. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar Amjad Gilani,Muhammad Arshad
Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications,
Journal of Molecular Modeling, 2022 |
| 24. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mazhar Amjad Gilani
Donor-π-Acceptor N-methyl-4,5-Diazacarbazole Based Ultra-High Performance Organic Solar Cells: A DFT Study,
Energy Technology, 2022 |
| 25. |
Sahiba Fareed,Mazhar Amjad Gilani,Sobia Tabassum,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>, Asim Laeeq Khan,Muhammad Yasin,Arsalan Ahmad Raja
Modeling the nocturnal/diurnal and seasonal real world absorption spectra of polycyclic aromatic hydrocarbons and their derivatives in two Chinese polluted cities,
Journal of Environmental Chemical Engineering, 2022 |
| 26. |
NaveenKosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar Amjad Gilani ,Muhammad Arshad,Abdul Rauf,Muhammad Ans,Laraib Zari
NLO properties and electride characteristics of superalkalis doped all-cis-1,2,3,4,5,6-hexafluorocyclohexane complexes,
Optik - International Journal for Light and Electron Optics , 2022 |
| 27. |
Annum Ahsan,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Sehrish Sarfaraz,Mazhar Amjad Gilani,Zaheer Ahmad
Alkaline earthides based on 15-crown-5 ether with remarkable NLO response,
Eur. Phys. J. Plus, 2022 |
| 28. |
Sana Qureshi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Misbah Asif,Hasnain Sajid,Mazhar Amjad Gilani,Muhammad Arshad
Selective electrochemical sensing of formaldehyde over thioformaldehyde, phosgene and thiophosgene by using h-g-C3N4 nanoflake,
Materials Science in Semiconductor Processing, 2022 |
| 29. |
Rehana Bano,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Sabir Hussain, Muhammad Arshad,Abdur Rauf
Lanthanum doped corannulenes with enhanced static and dynamic nonlinear optical properties: A first principle study,
Physica B: Condensed Matter, 2022 |
| 30. |
Satenik Mkrtchyan,Viktor O. Iaroshenko,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>, Michal Jakubczyk,Suneel Lanka,Muhammad Yar,Mika Sillanpää,Christine M. Thomas,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Mechanochemical Ni-Catalysed Arylation of orthoHydroxyarylenaminones: Synthesis of Isoflavones,
Advanced Synthesis & Catalysis, 2022 |
| 31. |
Faiqa Khaliq,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Aqsa Afzaal,Sobia Tabassum,Asim Laeeq Khan,Muhammad Yasin
Surface functionalization of Si6Li6 cluster with superalkalis to achieve high nonlinear optical response: A DFT study,
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2022 |
| 32. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Laraib Zari,Mazhar Amjad Gilani
Static, dynamic nonlinear optical (NLO) response and electride characteristics of superalkalis doped star like C6S6Li6,
Surfaces and Interfaces, 2022 |
| 33. |
Simplice Koudjin ,Wilfried G. Kanhounnon ,Gaston A. Kpotin ,Affi Sopi Thomas,Ren ´e Sawadogo ,Abderrahmane Semmeq,Naveen Kosar ,Michael Badawi ,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Guy Y.S. Atohoun
Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane,
Journal of Molecular Graphics and Modelling, 2022 |
| 34. |
Javaria Naeem,Sobia Tabassum,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Rehana Bano,Anam Arooj
Assessment of alkali/alkaline-earth metals doped cubanes as high performance nonlinear optical materials by first-principles study,
Journal of Science: Advanced Materials and Devices, 2022 |
| 35. |
Tayyaba Murtaza,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Naveen Kosar,Mazhar Amjad Gilani,Khizar Hussain Shah
DFT studies on electrochemical properties of halide ions doped GDY-28 nanoflake for Na-ion battery applications,
Materials Science in Semiconductor Processing, 2022 |
| 36. |
Shumaila Majeed,<a href="MemberDetails.aspx?memberID=12" title="Dr. Sohail Anjum Shahzad">Sohail Anjum Shahzad</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=566" title="Dr. Shamyla Nawazish">S.Nawazish</a>, Muhammad Tahir Waseem,Gul Shahzada Khan, Hafiz Muhammad Junaid,Muhammad Imran, Tausif Ahmad Khan
Development of AIEE active fluorescent and colorimetric probe for the solid, solution, and vapor phase detection of cyanide: smartphone and food applications,
Analyst, 2022 |
| 37. |
Shumaila Majeed,<a href="MemberDetails.aspx?memberID=12" title="Dr. Sohail Anjum Shahzad">Sohail Anjum Shahzad</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=328" title="Dr. Asad Muhammad Khan">Asad M. Khan</a>,<a href="MemberDetails.aspx?memberID=566" title="Dr. Shamyla Nawazish">S.Nawazish</a>,Muhammad Tahir Waseem,Hafiz Muhammad Junaid,Gul Shahzada Khan
Aggregation induced emission based fluorenes as dual-channel fluorescent probes for rapid detection of cyanide: applications of smartphones and logic gates,
RSC Advances, 2022 |
| 38. |
Misbah Asif,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hasnain Sajid,Mazhar Amjad Gilani
Superhalogen doping of aromatic heterocycles; effective approach for the enhancement of static and dynamic NLO response,
vacuum, 2022 |
| 39. |
Muhammad Fahad Asif,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Rehana Bano,Robina Farooq, Shabbir Muhammad,Sobia Tabassum
Shedding Light on the Second Order Nonlinear Optical Responses of Commercially Available Acidic Azo Dyes for Laser Applications,
Dyes and Pigments, 2022 |
| 40. |
Uroosa Sohail,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Faizan Ullah
Olympicene as a high performance sensor for lung irritants: A dispersion corrected DFT inshight,
Materials Science in Semiconductor Processing, 2022 |
| 41. |
Sana Qureshi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>, Misbah Asif,Hasnain Sajid,Mazhar Amjad Gilani
First-principles study for electrochemical sensing of neurotoxin hydrazine derivatives via h-g-C3N4 quantum dot,
Surfaces and Interfaces, 2022 |
| 42. |
Naveen Kosar ,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar Amjad Gilani,Shabbir Muhammad
Benchmark DFT approach for the calculation of bond dissociation energies of the M-O2 bond: a key step in water splitting reactions,
ACS omega, 2022 |
| 43. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach ,
Surfaces and Interfaces, 2022 |
| 44. |
Shumaila Majeed,<a href="MemberDetails.aspx?memberID=12" title="Dr. Sohail Anjum Shahzad">Sohail Anjum Shahzad</a>,<a href="MemberDetails.aspx?memberID=2" title="Dr. Umar Farooq">U.Farooq</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Hafiz Muhammad Junaid,Muhammad Tahir Waseem
Receptor Free Fluorescent and Colorimetric Sensors for Solution and Vapor Phase Detection of Hazardous Pollutant Nitrobenzene; A New Structural Approach to Design AIEE Active and Piezofluorochromic Sensors,
Journal of Photochemistry & Photobiology, A: Chemistry, 2022 |
| 45. |
Uroosa Sohail,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Faizan Ullah ,Shabbir Muhammad
Adsorption of Industrial Gases (CH4, CO2, and CO) on Olympicene: A DFT and CCSD(T) Investigation,
ACS Omega, 2022 |
| 46. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Sidra Khan ,Mazhar Amjad Gilani ,Umar Farooq, Muhammad Salim Akhtar
Ab initio study for superior sensitivity of graphyne nanofake towards nitrogen halides over ammonia,
Journal of Molecular Modeling, 2022 |
| 47. |
Rehana Bano ,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Arshad, Ahsan Sharif,Sobia Tabassum
Mixed superalkalis are a better choice than pure superalkalis for B12N12 nanocages to design high-performance nonlinear optical materials,
Dalton Transactions, 2022 |
| 48. |
H. Sajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,S. Khan,M. A. Gilani,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=2" title="Dr. Umar Farooq">U.Farooq</a>,M. S. Akhter
Ab-initio study for superior sensitivity of graphyne nanoflake towards nitrogen halides over ammonia,
Journal of Molecular Modeling, 2022 |
| 49. |
Naila Ghani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Javed Iqbal,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Naveen Kosar,Sana Sadaf,Muhammad Khalid,Sadia Noor
DFT Study of the Possible Reaction Path for Radical Promoted Esterification Mechanism of Free Fatty Acids of Soapnut Oil for the Production of Biodiesel,
Letters in Organic Chemistry, 2022 |
| 50. |
Hasnain Sajid,Sabir Ali Siddique,Ejaz Ahmed ,Muhammad Arshad,Mazhar Amjad Gilani,Abdul Rauf ,Muhammad Imran,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
DFT outcome for comparative analysis of Be12O12, Mg12O12 and Ca12O12 nanocages toward sensing of N2O, NO2, NO, H2S, SO2 and SO3 gases ,
Computational and Theoretical Chemistry, 2022 |
| 51. |
Junaid Yaqoob,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Sobia Tabassum,Ather Farooq Khan,Shagufta Perveen,Jucai Yang
Optimized Nonlinear Optical (NLO) Response of Silicon Carbide Nanosheet by Alkali Metals Doping: A DFT Insight,
European Physical Journal Plus, 2022 |
| 52. |
NailaSattar,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Hasnain Sajid,SobiaTabassum
Potential sensing of toxic chemical warfare agents (CWA) by twiseted nanographenes: A first principle approach,
Science of the Total Environment, 2022 |
| 53. |
Muhammad Tahir Waseem,<a href="MemberDetails.aspx?memberID=12" title="Dr. Sohail Anjum Shahzad">Sohail Anjum Shahzad</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=328" title="Dr. Asad Muhammad Khan">Asad M. Khan</a>,Hafiz Muhammad Junaid,Shumaila Majeed
Fluorene based fluorescent and colorimetric chemosensors for selective detection of cyanide ions in aqueous medium and application of logic gate,
Microchemical Journal, 2022 |
| 54. |
MisbahAsif,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,HasnainSajid,Mazhar Amjad Gilani
Highly accurate DFT investigation for triggering the ultra-strong static and dynamic nonlinear optical properties of superalkali doped aminated graphdiyne (NH2-GDY) donor-π-acceptor (D-π-A) quantum dots,
Polyhedron, 2022 |
| 55. |
RehanaBano,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Arshad,Ahsan Sharif,SobiaTabassum
Superalkali (Li2F, Li3F) doped Al12N12 electride with enhanced static and dynamic nonlinear optical responses and refractive indices,
Materials Science in Semiconductor Processing, 2022 |
| 56. |
Sabir Ali Siddique,Hasnain Sajid,Mazhar Amjad Gilani,Ejaz Ahmed, Muhammad Arshad,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Sensing of SO3, SO2, H2S, NO2 and N2O toxic gases through aza-macrocycle via DFT calculations,
Computational and Theoretical Chemistry, 2022 |
| 57. |
Rehana Bano,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Maria Asghar, Javed Iqbal, Sobia Tabassum, Rozalina Zakaria,Mazhar Amjad Gilani
A Theoretical Perspective on Strategies for the Fabrication of High Performance Nonlinear Optical Materials,
Frontiers in Materials, 2021 |
| 58. |
Palwasha Khan,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Jamshaid, Sobia Tabassum,Shagufta Perveen, Jucai Yang, Mazhar Amjad Gilani
Exploring the interaction of ionic liquids with Al12N12 and Al12P12 nanocages for better electrode-electrolyte materials in super capacitors ,
Journal of Molecular Liquids, 2021 |
| 59. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Misbah Asif,Mazhar Amjad Gilani,Mohammed Salim Akhter
Novel microporous B6N6 covalent organic framework (COF) as an electrochemical sensor for the ultra-selective detection of nitroaniline isomers; a DFT outcome,
Surfaces and Interfaces, 2021 |
| 60. |
MisbahAsif,Hasnain Sajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Adnan Ali Khan,Rashid Ahmad,Muhammad Ans,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Nano-porous C4N as a toxic pesticide's scavenger: A quantum chemical approach,
Journal of Molecular Graphics and Modelling, 2021 |
| 61. |
Sunaina Wajid ,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Naveen Kosar, Faizan Ullah, Mazhar Amjad Gilani,Shabbir Muhammad
Demonstrating the Potential of Alkali Metal-Doped Cyclic C6O6Li6 Organometallics as Electrides and High-Performance NLO Materials,
, ACS Omega, 2021 |
| 62. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,HiraTahir,Mazhar Amjad Gilani,Muhammad Imran
21. Remarkable nonlinear optical response of Mn@C20 (M = Na & K and n = 1–6); a DFT outcome,
Materials Science in Semiconductor Processing, 2021 |
| 63. |
FaizanUllah,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar Amjad Gilani,Muhammad Imran
30. C10F as a potential anode material for alkali-ion batteries; a quantum chemical approach,
Computational and Theoretical Chemistry, 2021 |
| 64. |
FaizanUllah,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
High performance SACs for HER process using late first-row transition metals anchored on graphyne support: A DFT insight,
International Journal of Hydrogen Energy, 2021 |
| 65. |
Rehana Bano,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Arshad,Ahsan Sharif,Shagufta Perveen,SobiaTabassum,Jucai Yang
23. Face specific doping of Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane with superalkalis and alkaline earth metals leads to enhanced static and dynamic NLO responses,
Journal of Physics and Chemistry of Solids, 2021 |
| 66. |
Tabish Jadoon,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Atazaz Ahsin,Faizan Ullah
Adsorption mechanism of p-aminophenol over silver graphene composite: A first principles study,
Journal of Molecular Liquids, 2021 |
| 67. |
Misbah Asif,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hasnain Sajid,Muhammad Ans
24. A first principles study on electrochemical sensing of highly toxic pesticides by using porous C4N nanoflake,
Journal of Physics and Chemistry of Solids, 2021 |
| 68. |
Misbah Asif,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hasnain Sajid,Mazhar Amjad Gilani,Mohammed Salim Akhter
Electrochemical sensing behavior of graphdiyne nanoflake towards uric acid: a quantum chemical approach,
Journal of Molecular Modeling, 2021 |
| 69. |
Misbah Asif,Hasnain Sajid,Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Effect of fluorination on the adsorption properties of aromatic heterocycles toward methyl halides: A quantum chemical study,
Computational and Theoretical Chemistry, 2021 |
| 70. |
Misbah Asif ,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Hasnain Sajid ,Naveen Kosar
Effect of fluorination on the adsorption properties of aromatic heterocycles toward methyl halides: A quantum chemical study,
Computational and Theoretical Chemistry , 2021 |
| 71. |
Muhammad Arshad,Kainat Ahmed,Maryam Bashir,Naveen Kosar,Maleeha Kanwal,Maqsood Ahmed,Hidayat Ullah Khan,Shahnaz Khan,Abdul Rauf,Amir Waseem,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Synthesis, structural properties and potent bioactivities supported by molecular docking and DFT studies of new hydrazones derived from 5-chloroisatin and 2-thiophenecarboxaldehyde,
Journal of Molecular Structure, 2021 |
| 72. |
Muhammad Arshada,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Kainat Ahmed,Maryam Bashir,Naveen Kosar,Maleeha Kanwal, Maqsood Ahmed,Hidayat Ullah Khan,Shahnaz Khan,Abdul Rauf ,Amir Waseem
Synthesis, structural properties and potent bioactivities supported by molecular docking and DFT studies of new hydrazones derived from 5-chloroisatin and 2-thiophenecarboxaldehyde,
Journal of Molecular Structure, 2021 |
| 73. |
Faiqa Khaliq,SobiaTabassum,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Shabbir Muhammad
First example of lanthanum as dopant on Al12N12 and Al12P12 nanocages for improved electronic and nonlinear optical properties with high stability,
Materials Science in Semiconductor Processing, 2021 |
| 74. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hira Tahir,Mazhar AmjadGilani,Muhammad Arshad
Impact of even number of alkaline earth metal doping on the NLO response of C20 nanocluster; a DFT outcome ,
Computational and Theoretical Chemistry, 2021 |
| 75. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
A DFT study on M3O (M = Li & Na) doped triphenylene and its amino-, hydroxy- and thiol-functionalized quantum dots for triggering remarkable nonlinear optical properties and ultra-deep transparency in ultraviolet region,
Physica E: Low-dimensional Systems and Nanostructures , 2021 |
| 76. |
Hasnain sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
A DFT study on M3O (M = Li & Na) doped triphenylene and its amino-, hydroxy- and thiol-functionalized quantum dots for triggering remarkable nonlinear optical properties and ultra-deep transparency in ,
Physica E: Low-dimensional Systems and Nanostructures, 2021 |
| 77. |
Tabish Jaddon,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Silver cluster decorated graphene nanoflakes for selective and accurate detection of nitroaniline isomers; DFT calculations,
Materials Science in Semiconductor Processing , 2021 |
| 78. |
Gulraiz Ahmad ,Nasir Rasool ,Muhammad Usman Qamar ,Mohammed Mujahid Alam ,Naveen Kosar ,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Imran
Facile synthesis of 4-aryl-N-(5-methyl-1H-pyrazol3-yl)benzamides via Suzuki Miyaura reaction: Antibacterial activity against clinically isolated NDM-1-positive bacteria and their Docking Studies,
Arabian Journal of Chemistry, 2021 |
| 79. |
Palwasha Khan,SobiaTabassum,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mazhar Amjad Gilani
Turning diamondoids into nonlinear optical materials by alkali metal Substitution: A DFT investigation ,
Optics and Laser Technology , 2021 |
| 80. |
Rimsha Baloach, Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Anila Asif, Sobia Tabassum
A New Strategy of bi‑Alkali Metal Doping to Design Boron Phosphide Nanocages of High Nonlinear Optical Response with Better Thermodynamic Stability,
Journal of Inorganic and Organometallic Polymers and Materials, 2021 |
| 81. |
Muhammad Sohail,SobiaTabassum,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Faiqa Khaliq
Influence of bi-alkali metals doping over Al12N12 nanocage on stability and optoelectronic properties: A DFT investigation ,
Radiation Physics and Chemistry, 2021 |
| 82. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Sidra Khan
Effective adsorption of A-series chemical warfare agents on graphdiyne nanoflake: a DFT study,
Journal of Molecular Modeling, 2021 |
| 83. |
Misbah Asif,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hasnain Sajid,Faizan Ullah,Sidra Khan,Mazhar Amjad Gilani,Muhammad Arshad,Mohammed Salim Akhter
Quantum chemical study on sensing of NH3, NF3, NCl3 and NBr3 by using cyclic tetrapyrrole,
Computational and Theoretical Chemistry, 2021 |
| 84. |
Muhammad Naeem Ahmed,SadiaShabbir,Bakhtawar Batool,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=641" title="Dr. Umer Rashid ">U. Rashid</a>,Khawaja Ansar Yasin,Muhammad Nawaz Tahir,M. L. Arias Cassará,Diego M.Gil
A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies,
Journal of Molecular Structure
, 2021 |
| 85. |
Faiqa Khaliq,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,SobiaTabassum
Exploring Li4N and Li4O superalkalis as efficient dopants for the Al12N12 nanocage to design high performance nonlinear optical materials with high thermodynamic stability,
Polyhedron, 2021 |
| 86. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,HiraTahir
DFT studies of single and multiple alkali metals doped C24 fullerene for electronics and nonlinear optical applications,
Journal of Molecular Graphics and Modelling, 2021 |
| 87. |
HasnainSajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Sana Malik,Umer Rashid
Hydrogen adsorption on Ge52−, Ge92− and Sn92− Zintl clusters: A DFT study,
Computational and Theoretical Chemistry, 2021 |
| 88. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Sajida Munsif
Storage and permeation of hydrogen molecule, atom and ions (Hþ and H¡) through silicon carbide nanotube; a DFT approach,
International Journal of Hydrogen Energy, 2021 |
| 89. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,HiraTahir,Mazhar Amjad Gilani
Theoretical modification of C24 fullerene with single and multiple alkaline earth metal atoms for their potential use as NLO materials,
Journal of Physics and Chemistry of Solids , 2021 |
| 90. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Faizan Ullah,Sidra Khan,Muhammad Arshad
Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-] thiophene complexes; a DFT approach,
RSC Advances, 2021 |
| 91. |
Shakeel Ahmad,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Matloob Ahmad,Muhammad Nadeem Arshad,Faizan Ullah,Muhammad Shafiq,Sana Aslam,Abdullah M. Asiri
Synthesis, single crystal X-ray, spectroscopic and computational (DFT) studies 2,1-benzothiazine based hydrazone derivatives,
Journal of Molecular Structure, 2021 |
| 92. |
Faizan Ullah,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Sundus Irshad,Saima Khan,Muhammad Ali Hashmi,Ralf Ludwig
Nonlinear optical response of first-row transition metal doped Al12P12 nanoclusters; a first-principles study,
Journal of Physics and Chemistry of Solids, 2020 |
| 93. |
Sidra Khan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hasnain Sajid
Sensing of toxic Lewisite (L1, L2, and L3) molecules by graphdiyne nanoflake using density functional theory calculations and quantum theory of atoms in molecule analysis,
Journal of Physical Organic Chemistry, 2020 |
| 94. |
Tabish Jaddon,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Silver cluster (Ag6) decorated coronene as non-enzymatic sensor for glucose and H2O2,
Journal of Molecular Graphics and Modelling, 2020 |
| 95. |
Tabish Jadoon,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study,
Journal of Molecular Graphics and Modelling, 2020 |
| 96. |
Sidra Khan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Yar,Naveen Kosar,Muhammad Arshad,Muhammad Nauman Zahid
First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface,
Computational and Theoretical Chemistry, 2020 |
| 97. |
Saira Sajjad,Muhammad Ali Hashmi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Permeation of second row neutral elements through Al12P12 and B12P12 nanocages; a first-principles study,
Journal of Molecular Graphics and Modelling, 2020 |
| 98. |
Sundas Irshad,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Faizan Ullah,Saima Khan,Ralf Ludwig
First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic properties; A detailed quantum chemical study,
Optics and Laser Technology, 2020 |
| 99. |
Hasnain Sajid,Faizan Ullah,Muhammad Yar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Superhalogen doping: a new and effective approach to design materials with excellent static and dynamic NLO responses,
New Journal of Chemistry, 2020 |
| 100. |
Usman Nazeer,Nasir Rasool,Aqsa Mujahid, Asim Mansha,Muhammad Zubair,Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Ali Raza Shah,Syed Adnan Ali Shah,Zainul Amiruddin Zakaria,Muhammad Nadeem Akhtar
Selective Arylation of 2-Bromo-4-chlorophenyl-2-bromobutanoate via a Pd-Catalyzed Suzuki Cross-Coupling Reaction and Its Electronic and Non-Linear Optical (NLO) Properties via DFT Studies,
Molecules, 2020 |
| 101. |
Sidra Khan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Hasnain Sajid
Adsorption behaviour of chronic blistering agents on graphdiyne; excellent correlation among SAPT, reduced density gradient (RDG) and QTAIM analyses,
Journal of Molecular Liquids, 2020 |
| 102. |
Saira Sajjad,Akhtar Ali,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Janus alkaline earthides with excellent NLO response from sodium and potassium as source of excess electrons; a first principles study,
Journal of Molecular Graphics and Modelling, 2020 |
| 103. |
Hasnain Sajid,Sidra Khan,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
High sensitivity of graphdiyne nanoflake toward detection of phosgene, thiophosgene and phosogenoxime; a first-principles study,
Journal of Molecular Graphics and Modelling, 2020 |
| 104. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Kiran Shehzadi
Nonlinear optical response of sodium based superalkalis decorated graphdiyne surface: A DFT study,
OPTIK, 2020 |
| 105. |
Faizan Ullah,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Remarkable second and third order nonlinear optical properties of organometallic C6Li6–M3O electrides,
New Journal of Chemistry, 2020 |
| 106. |
Sajida Munsif,Naveen Kosar,Muhammad Ali Hashmi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Synergic effect of pore size engineering and applied electric field on the controlled permeation of alkali metal atoms and ions across pristine and defected h-BN sheet,
New Journal of Chemistry, 2020 |
| 107. |
Faizan Ullah,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Naveen Kosar,Asghar Ali,Maria
Alkaline earth metal decorated phosphide nanoclusters for potential applications as high performance NLO materials; A first principle study,
Physica E: Low-dimensional Systems and Nanostructures, 2020 |
| 108. |
Tabish Jadoon,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Silver-graphene quantum dots based electrochemical sensor for trinitrotoluene and p-nitrophenol,
Journal of Molecular Liquids, 2020 |
| 109. |
Hira Tahir,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Naveen Kosar
Outstanding NLO response of thermodynamically stable single and multiple alkaline earth metals doped C20 fullerene,
Journal of Molecular Liquids, 2020 |
| 110. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Sidra Khan
High selectivity of cyclic tetrapyrrole over tetrafuran and tetrathiophene toward toxic chemicals; A first-principles study,
Microporous and Mesoporous Materials, 2020 |
| 111. |
Hasnain Sajid,Faizan Ullah,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Cyclic versus straight chain oligofuran as sensor:A detailed DFT study,
Journal of Molecular Graphics and Modeling, 2020 |
| 112. |
Naveen Kosar,Kiran Shehzadi,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Theoretical study on novel superalkali doped graphdiyne complexes: uniqe approach for the enhancement of electronic and nonlinear optical response,
Journal of Molecular Graphics and Modeling, 2020 |
| 113. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Saman Gul,Ali Bahader,Mazhar Amjad Gilani,Muhammad Arshad
Significant nonlinear optical response of alkaline earth metals doped beryllium and magnesium oxide nanocages,
Materials Chemistry and Physics, 2020 |
| 114. |
Faizan Ullah,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Naveen Kosar,Muhammad Nadeem Arshad,Mazhar Amjad Gilani
Design of novel superalkali doped silicon carbide nanocages with giant nonlinear optical response,
Optics and Laser Technology, 2020 |
| 115. |
Nadia Bibi,Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Theoretical investigation on radical anion promoted electrocyclization in photochromes,
Journal of Molecular Graphics and Modelling, 2020 |
| 116. |
Syeda Shamila Hamdani,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Bilal Ahmad Khan,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Naeem Ahmed,Shahid Hameed,Kulsoom Akhter
Synthesis, crystal structures, computational studies and α-amylase inhibition of three novel 1,3,4-oxadiazole derivatives,
Journal of Molecular Structure, 2020 |
| 117. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Exceptionally high NLO response and deep ultraviolet transparency of superalkali doped macrocyclic oligofuran rings,
New Journal of Chemistry, 2020 |
| 118. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Sobia Tabassum,Muhammad Arshad,Mazhar Amjad Gilani
Doping superalkali on Zn12O12 nanocage constitutes a superior approach to fabricate stable and high-performance nonlinear optical materials,
Optics and Laser Technology, 2019 |
| 119. |
Faizan Ullah,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Naveen Kosar,Asghar Ali,Maria
Design of novel inorganic alkaline earth metal doped aluminum nitride complexes (AEM@Al12N12) with high chemical stability, improved electronic properties and large nonlinear optical response,
OPTIK, 2019 |
| 120. |
Muhammad Nadeem Arshad,Hassan M. Faidallah,Abdullah M. Asiri,Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Structural, Spectroscopic and Nonlinear Optical Properties of Sulfonamide Derivatives; Experimental and Theoretical Study,
Journal of Molecular Structure, 2019 |
| 121. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar A. Gilani,Faheem Shah
Benchmark approach to search of cost‐effective and accurate density functional for homolytic cleavage of C─Mg bond of Grignard reagent,
International Journal of Quantum Chemistry, 2019 |
| 122. |
Arshad Farooq Butt,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Moazzam Hussain Bhatti,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Naeem Ahmed,Muhammad Aziz Choudhary,Muhammad NawazTahir
Synthesis, structural properties, DFT studies, antimicrobial activities and DNA binding interactions of two newly synthesized organotin(IV) carboxylates,
Journal of Molecular Structure, 2019 |
| 123. |
Taj Rehman,Muhammad Aurang Zeb,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,De-BingPu,Wajiha Liaqat,Wei-LieXiao,Muhammad Sajid,Riaz Hussain
Density functional theory, molecular docking and bioassay studies on (S)-2-hydroxy-N- (2S,3S,4R,E)-1,3,4 trihydroxyicos-16-en-2-yl)tricosanamide,
Heliyon, 2019 |
| 124. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
A comprehensive DFT study on sensing abilities of cyclic oligothiophenes (nCT),
New Journal of Chemistry, 2019 |
| 125. |
HAFIZ MANSOOR IKRAM, NASIR RASOOL,MUHAMMAD ALI HASHMI, MUHAMMAD ARFAN ANJUM,KULSOOM GHULAM ALI,MUHAMMAD ZUBAIR,GULRAIZ AHMAD,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Density functional theory supported studies of structural and electronic properties of substituted-phenol derivatives synthesized by efficient O- or C-arylation via Chan-Lam or Suzuki cross-coupling reactions,
Turkish Journal of Chemistry , 2019 |
| 126. |
Gulraiz Ahmad,<a href="MemberDetails.aspx?memberID=641" title="Dr. Umer Rashid ">U. Rashid</a>,Nasir Rasool,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Komal Rizwan,Atif Ali Altaf,Mohd Zobir Hussein
Role of pyridine nitrogen in palladium catalyzed imine hydrolysis; A case study of (E)-1-(3-bromothiophen-2-yl)-N-(4-methylpyridin-2-yl)methanimine. ,
Molecules, 2019 |
| 127. |
Saira Sajjad,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Ali Hashmi
Density functional theory study of structural, electronic and CO adsorption properties of anionic Scn- (n =2-13) clusters,
Computational and Theoretical Chemistry, 2019 |
| 128. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Arshad
Highly selective acridinium based cyanine dyes for the detection of DNA base pairs (adenine, cytosine, guanine and thymine),,
Computational and Theoretical Chemistry, 2019 |
| 129. |
Kiran Shehzadi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Theoretical study on design of novel superalkalis doped graphdiyne: a new donor-acceptor (D-π-A) strategy for enhancing NLO response,
Applied Surface Science, 2019 |
| 130. |
Shahid Ali Khan,Achyut Adhikari,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,AliyaFarooq,Saima Mahar,Muhammad Nasimullah Qureshi,Abdur Rauf,Sher Bahadar Khan,Ralf Ludwig,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Isolation, characterization and DFT study of epoxy ring containing withanolides from Withania coagulans Dunal,
Spectrochimica Acta A: Molecular and Biomolecular Spectroscopy, 2019 |
| 131. |
Hira Israr,Nasir Rasool,Raid D. Thanoon,Muhammad Ali Hashmi,komal Rizwan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Nadeem Akhtar
Synthesis, Reactivities and Nonlinear Optical (NLO) Properties of Triphenyl acetamide Analogs,
Symmetry, 2019 |
| 132. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mian H.R. Mahmood
Comparative investigation of sensor application of polypyrrole for gaseous analytes,
Journal of Physical Organic Chemistry, 2019 |
| 133. |
Faizan Ullah,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Naveen Kosar
Superalkalis as a source of diffuse excess electrons in newly designed inorganic electrides with remarkable nonlinear response and deep ultraviolet transparency: A DFT study,
Applied Surface Science, 2019 |
| 134. |
Saba Tahir,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Faiqa Dastgir,Ihsan ul-Haq,Amir Waseem,<a href="MemberDetails.aspx?memberID=641" title="Dr. Umer Rashid ">U. Rashid</a>
Design, Synthesis and Anti-bacterial Studies of Piperazine Derivatives against Drug Resistant Bacteria.,
European Journal of Medicinal Chemistry, 2019 |
| 135. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Moneeba Asgar
Halides encapsulation in aluminum/boron phosphide nanoclusters: An effective strategy for high cell voltage in Na-ion battery,
Materials Science in Semiconductor Processing, 2019 |
| 136. |
Faizan Ullah,Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Theoretical study on a boron phosphide nanocage doped with superalkalis: novel electrides having significant nonlinear optical response,
New Journal of Chemistry, 2019 |
| 137. |
Saba TahirTanoli,Muhammad Ramzan,Abbas Hassan,Abdul Sadiq,Muhammad Saeed Jan,Farhan A. Khan,Farhat Ullah,Haseen Ahmad,Maria Bibi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=641" title="Dr. Umer Rashid ">U. Rashid</a>
Design, synthesis and bioevaluation of tricyclic fused ring system as dual binding site acetylcholinesterase inhibitors,
Bioorganic Chemistry, 2019 |
| 138. |
Ghulam Murtaza,Yasmeen Akhtar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Syed Mobasher Ali Abid,Petre Makreski
A Novel UV-spectrophotometric method for simultaneous estimation of amplodipine and captropril,
Pharmaceutical Chemistry Journal, 2019 |
| 139. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Benchmark DFT Studies on C-CN homolytic cleavage and screening the substitution effect on bond dissociation energy. ,
Journal of Molecular Modeling, 2019 |
| 140. |
Nasir Mahmood,Nasir Rasool,Hafiz Mansoor Ikram,Muhammad Ali Hashmi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Zubair,Gulraiz Ahmad , Komal Rizwan, Tahir Rashid, Umer Rashid
Synthesis of 3,4-Biaryl-2,5-Dichlorothiophene through Suzuki Cross-Coupling and Theoretical Exploration of Their Potential Applications as Nonlinear Optical Materials,
Symmetry, 2018 |
| 141. |
Saira Sajjad,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Ralf Ludwig,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Theoretical insight into structural and electronic properties of cationic Scn+ (n=2-13): A benchmark study,
Solid State Sciences, 2018 |
| 142. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Dr. Farhan Hafeez,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Detailed mechanistic study of radical mediated chemoselective phosphination of aryl halide,
ChemistrySelect, 2018 |
| 143. |
Fatima Wasim,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Naveen Kosar
Sensor applications of polypyrrole for oxynitrogen analytes; A DFT study,
Journal of Molecular Modeling, 2018 |
| 144. |
Shahid Ali Khan,Saima Maher,Nadra Naheed,Maria,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Aliya Farooq,Sher Bahadar Khan,Zarbad Shah
Isolation, spectroscopic and density functional theory of two withanolide glycosides,
Journal of Molecular Structure, 2018 |
| 145. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Accurate theoretical method for homolytic cleavage of C-Sn bond: A benchmark approach,
Computational and Theoretical Chemistry
, 2018 |
| 146. |
Komal Rizwan,Nasir Rasool,Ravya Rehman,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>, Tahir Rasheed, Gulraiz Ahmad,Ayesha Malik,Shakeel Ahmad Khan,Muhammad Nadeem Akhtar,Noorjahan Banu Alitheen,Muhammad Nazirul Mubin Aziz
Facile Synthesis of N- (4-bromophenyl)-1-(3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: their characterization and DFT studies,
Chemistry Central Journal, 2018 |
| 147. |
Murtazaq Madni,Muhamad Naeem Ahmed,Shahid Hameed,Syed Wadood Ali Shah,<a href="MemberDetails.aspx?memberID=641" title="Dr. Umer Rashid ">U. Rashid</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Nawaz Tahir ,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Synthesis, quantum chemical, in vitro acetyl cholinesterase inhibition and molecular docking studies of four new coumarin based pyrazolylthiazole nuclei,
Journal of Molecular Structure, 2018 |
| 148. |
Komal Rizwan, Muhammad Zubair, Nasir Rasool,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Noorjahan Banu Alitheen,Muhammad Nadeem Akhtar,, Faiz-ul-Hassan Nasim, Snober Mona Bukhary, Viqar Uddin Ahmad, Mubeen Rani, Muhammad Nazirul Mubin Aziz
Palladium (0) Catalyzed Suzuki Cross-Coupling reaction of 2,5-dibromo-3- methylthiophene: Selectivity, Characterization, DFT Studies and their Biological Evaluations ,
Chemistry Central Journal, 2018 |
| 149. |
komal rizwan,sarosh iqbal,nasir rasool,muhammad N. Akhtar, Muhammad T. Ansari,hira farooq,hira israr,tahir rasheed,Seema Zareen,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Selective arylation of phenol proteted propygyl bromide via pd-catalysed Suzuki coupling reaction: synthesis, mechanistic studies by DFT calculations and Their Pharmacological Aspects,
Acta Poloniae Pharmaceutica - Drug Research , 2018 |
| 150. |
Muhammad Naeem Ahmed,Beenish Sadiq,Najim A.Al-Masoudi,Khawaja Ansar Yasin,Shahid Hameed,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Nawaz Tahir
Synthesis, crystal structures, computational studies and antimicrobial activity of new designed bis((5-aryl-1,3,4-oxadiazol-2-yl)thio)alkanes,
Journal of Molecular Structure, 2018 |
| 151. |
Saghir Abbas,Hafiza Huma Nasir,<a href="MemberDetails.aspx?memberID=190" title="Sumera Zaib">S.Zaib</a>,Saqib Ali,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Nawaz Tahir,<a href="MemberDetails.aspx?memberID=533" title="Dr. Jamshed Iqbal">Dr. Jamshed Iqbal</a>
Carbonic anhydrase inhibition of Schiff base derivative of imino-methyl-naphthalen-2-ol: Synthesis, structure elucidation, molecular docking, dynamic simulation and density functional theory calculations,
Journal of Molecular Structure, 2018 |
| 152. |
Shakeel Ahmad Khan,Sammia Shahid,Sadia Kanwal,Komal Rizwan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Synthesis of novel metal complexes of 2-((phenyl (2-(4-sulfophenyl) hydrazono) methyl) diazenyl) benzoic acid formazan dyes: Characterization, antimicrobial and optical properties studies on leather,
Journal of Molecular Structure, 2018 |
| 153. |
Muhammad Naeem Ahmed,Khawaja Ansar Yasin,Sadiq-ur-Rehman, Rashid Mehmood,<a href="MemberDetails.aspx?memberID=641" title="Dr. Umer Rashid ">U. Rashid</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad Nawaz Tahir ,Abdul Majeed Khan
Synthesis, Characterization, Anti-leishmanial Activity and in silico Studies of 5-(4-methoxyphenyl)-2-(undecylthio)-1,3,4-oxadiazole,
Journal of the Chemical Society of Pakistan , 2018 |
| 154. |
Naveen Kosar,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study,
Journal of Molecular Structure, 2017 |
| 155. |
Urooj Gul,Mazhar Amjad Gilani, Sobia Tabassum,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Abdulrahman I. Alharthi,Mshari A. Alotaibi,Mohammed Geesi, Rizwan Sheikh,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Copper Doped Al12N12 Nano-cages: Potential Candidates for Nonlinear Optical Materials,
Applied Physics A, 2017 |
| 156. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
High sensitivity of polypyrrole sensor for uric acid over urea, acetamide and sulfonamide: A density functional theory study,
Synthetic Metals, 2017 |
| 157. |
SairaSherzaman,Sadiq-ur-Rehman,Muhammad Naeem Ahmed,Bilal Ahmed Khan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Muhammad NawazTahir
Thiobiuret based Ni(II) and Co(III) complexes: Synthesis, molecular structures and DFT studies,
Journal of Molecular Structure, 2017 |
| 158. |
Hasnain Sajid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
An Accurate Comparative Theoretical Study of Interaction of furan, pyrrole and thiophene with Various Gaseous Analytes,
Journal of Molecular Modeling, 2017 |
| 159. |
Saira Sajjad,Maria,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Benchmark study of structural and vibrational properties of scandium clusters,
Journal of Molecular Structure, 2017 |
| 160. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Naveen Kosar,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
DFT study of acceleration of Electrocyclization in Photochromes under Radical Cationic Conditions: Comparison with Recent Experimental Data,
Tetrahedron, 2017 |
| 161. |
Muhammad Nadeem Arshad,Naveen Kosar, Abdullah M. Asiri,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Islam Ullah Khan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Synthesis and Structural Properties of N-(2-bromo-4-nitrophenyl)-3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazine-3-carboxamide 1,1-dioxide: A Comparative Experimental and Quantum Chemical Study,
Journal of Chemical Society of Pakistan, 2017 |
| 162. |
Muhammad Arshad,Mehwish Jadoon,<a href="MemberDetails.aspx?memberID=17" title="Dr. Zafar Iqbal">Z. Iqbal</a>,Mehwish Fatima,<a href="MemberDetails.aspx?memberID=606" title="Dr. Muhammad Ali">Muhammad Ali</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Ashfaq Mahmood Qureshi,Muhammad Ashraf,Muhammad Nadeem Arshad,Abdullah M. Asiri,Amir Waseem,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Synthesis, molecular structure, quantum mechanical studies and urease inhibition assay of two new isatin derived sulfonylhydrazides,
Journal of Molecular Structure, 2017 |
| 163. |
Muhammad Naeem Ahmed,Khawaja Ansar Yasin,Raja Ansar Hussain Khan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Dilshad Malik,Muhammad Hafeez,Abdul Majeed Khan,M. Nawaz Tahir
Synthesis, Crystal structure, Spectral analysis, DFT studies and antimirobial activity of ethyl 6-(4-(ethoxycarbonyl)1-H-1,2,3 triazol-1-yl pyridine-3-carboxylate ,
Journal of Pakistan Chemical Society, 2017 |
| 164. |
Muhammad Naeem Ahmed,Khawaja AnsarYasin,Shahid Hameed,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Ihsan-ulHaq,M. NawazTahir,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Synthesis, structural studies and biological activities of three new 2-(pentadecylthio)-5-aryl-1,3,4-oxadiazoles,
Journal of Molecular Structure, 2017 |
| 165. |
Gulraiz Ahmad,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Nasir Rasool,Hafiz Mansor Ikram,Samreen Gul Khan,Muhammad Zubair,Eman Al-Zehrani,Usman Ali Rana,Muhammad Nadeem Akhtar,Noorjahan Banu Alitheen
Efficient Synthesis of Novel Pyridine-Based Derivatives via Suzuki Cross-Coupling Reaction of Commercially Available 5-Bromo-2-methylpyridin-3-amine: Quantum Mechanical Investigations and Biological Activities.,
Molecules, 2017 |
| 166. |
Fatima Wasim,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
An accurate cost effective DFT approach to study sensor behaviour of polypyrrole for nitrate ion in gas and aqueous phase,
PCCP, 2016 |
| 167. |
Nasir Rasool,Aqsa Kanwal,Tehmina Rasheed ,Quratulain Ain ,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Zubair ,Khalid Mohammed Khan ,Muhammad Nadeem Arshad,Abdullah M. Asiri ,Muhammad Zia-Ul-Haq ,Hawa Z. E. Jaafar
One Pot Selective Arylation of 2-Bromo-5-Chloro Thiophene; Molecular Structure Investigation via Density Functional Theory (DFT), X-ray Analysis, and Their Biological Activities,
International Journal of Molecular Sciences , 2016 |
| 168. |
<a href="MemberDetails.aspx?memberID=641" title="Dr. Umer Rashid ">U. Rashid</a>,Fazal Rahim,Muhammad Taha,Muhammad Arshad,Hayat Ullah,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=606" title="Dr. Muhammad Ali">Muhammad Ali</a>
Synthesis of 2-acylated and sulfonated 4-hydroxycoumarins: In vitro urease inhibition and molecular docking studies,
Bioorganic Chemistry, 2016 |
| 169. |
Riffat Un Nisa,Muhammad Ali Hashmi,Saira Sajjad,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Javed Iqbal,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Quantum mechanical investigation on acceleration of electrocyclic reactions through transition metal catalysis,
Journal of Organometallic Chemistry, 2016 |
| 170. |
Abdul Hameed,Syeda Tazeen Zehra,Saba Abbas,Riffat UnNisa,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Mariya-al-Rashida,Jürgen Bajorath,Khalid Mohammed Khan,Jamshed Iqbal
One-pot synthesis of tetrazole-1,2,5,6-tetrahydronicotinonitriles and cholinesterase inhibition: Probing the plausible reaction mechanism via computational studies,
Bioorganic Chemistry, 2016 |
| 171. |
Riffat Un Nisa,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, Ralf Ludwig ,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Theoretical mechanistic investigation of zinc(II) catalyzed oxidation of alcohols to aldehydes and esters,
RSC Advances, 2016 |
| 172. |
Riffat Un Nisa,Zanib Sugheer,Muhammad Ali Hashmi,Muhammad Sharif,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Ralf Ludwig,Javed Iqbal ,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Theoretical mechanistic investigation of zinc(II) catalyzed oxidative amidation of benzyl alcohols with amines,
Polyhedron, 2016 |
| 173. |
Bibi Saima,Afsar Khan,Riffat Un Nisa,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Theoretical insights into thermal cyclophanediene to dihydropyrene electrocyclic reactions; a comparative study of Woodward Hoffmann allowed and forbidden reactions,
J Mol Model, 2016 |
| 174. |
Fatimah Ali Al-Zahrani,Muhammad Nadeem Arshad,Abdullah M. Asiri,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mazhar Amjad Gilani,Rida M. El shishtawy
Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight,
Chemistry Central Journal, 2016 |
| 175. |
Muhammad Naeem Ahmed,Khawaja Ansar Yasin,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,M. Nawaz Tahir,Bilal Ahmad Khan,Muhammad Hafeez,Madiha Ahmed,Ihsanul-Haq
Click one pot synthesis, spectral analyses, crystal structures, DFT studies and brine shrimp cytotoxicity assay of two newly synthesized 1,4,5-trisubstituted 1,2,3-triazoles,
Journal of Molecular Structure, 2016 |
| 176. |
MUHAMMAD Naeem Ahmed,KHAWAJA Ansar Yasin,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,FATIMA Wasim,MUHAMMAD Haleem Khan,M. NAWAZ Tahir,SAFEENA Zafar,SHAISTA Anjum
Synthesis and Structural Investigations of New 4-Hexyl-1-(4-nitrophenyl)-1-H-1,2,3-triazole:An Experimental and Theoretical Insight,
Chinese Journal of Structural Chemistry, 2015 |
| 177. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Arshad,Mazhar Amjad Gillani,<a href="MemberDetails.aspx?memberID=17" title="Dr. Zafar Iqbal">Z. Iqbal</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Dyotropic rearrangement of bridgehead substituents in closed dithienylethenes; conjugated verses non-conjugated analogues,
Journal of Molecular Modelling, 2015 |
| 178. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Arshad, Mazhar Amjad Gilani,Zafar Iqbal,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Dyotropic rearrangement of bridgehead substituents in closed dithienylethenes: Conjugated versus non-conjugated analouges,
J Mol Model, 2015 |
| 179. |
Mnaza Noreen,Nasir Rasool,Yasmeen Gull ,Vincenzo De Feo,Muhammad Zubair,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Faiz-ul-Hassan Nasim ,Asma Yaqoob ,Muhammad Zia-Ul-Haq
Synthesis, Density Functional Theory (DFT), urease inhibition and antimicrobial activities of 5-aryl thiophenes bearing sulphonylacetamide moiety,
Molecules, 2015 |
| 180. |
Riffat Un Nisa,Maria, Fatima Wasim,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Ralf Ludwig,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Mechanistic insight of TiCl4 catalyzed formal [3 + 3] cyclization of 1,3-bis(silyl enol ethers) with 1,3-dielectrophiles,
RSC Advances, 2015 |
| 181. |
Taj Ur Rahman,Mohammad Arfan,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Wajiha Liaqat,Mazhar Amjad Gilani,Ghias Uddin,Ralf Ludwig,Khair Zaman,M. Iqbal Choudhary,Khanzadi Fatima Khattak,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Isolation, Spectroscopic and Density Functional Theory Studies of 7-(4-methoxyphenyl)-9H-Furo[2,3-F]chromen-9-one: A new Flavonoid from the Bark of Millettia Ovalifolia.,
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015 |
| 182. |
Nasir Khan,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Nadeem S. Sheikh,Ather Farooq Khan,Ralf Ludwig,Wajid Rehman, Yasair S. S. Al-Faiyz
Towards Thermally Stable Cyclophanediene-Dihydropyrene Photoswitches,
Journal of Molecular Modeling, 2015 |
| 183. |
Muhammad Nadeem Arshad,Abdullah M.Asiri,Khalid A.Alamry,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Mazhar Amjad Gilani,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Abdulhadi Salih Birinji
Synthesis, Crystal Structure, Spectroscopic and Density Functional Theory (DFT) Study of N-[3-anthracen-9-yl-1-(4-bromo-phenyl)-allyldiene]-N- Benzenesulfono hydrazine.,
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015 |
| 184. |
Taj Ur Rahman,Ghias Uddin,Riffat Un Nisa,Ralf Ludwig,Wajiah Liaqat,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Ghulam Mohammad,M. Iqbal Choudhary,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Spectroscopic and Density Functional Theory Studies of 7-hydoxy-3'-nethoxyisoflavone: A New Isoflavone from the Seeds of Indigofera herantha (wall).,
Spectrochimica Acta Part A: Molecular and Biomolecular spectroscopy, 2015 |
| 185. |
Muhammad Nadeem Arshad,Aisha Bibi,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Abdullah M. Asiri,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Synthesis, Crystal Structures and Spectroscopic Properties of Triazine based Hydrazone Derivates: A Comparative Experimental-Theoretical Study. ,
Molecules, 2015 |
| 186. |
Muhammad Nadeem Arshad,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Ather Faroque Khan,MUHAMMAD Zia-Ur-Rehman,ABDULLAH M. Asiri,ISLAM Ullah Khan,RIFFAT-Un-Nisa,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,AZAM Mukhtar,MUHAMMAD Tariq Saeed
Synthesis, Crystald Strucutre and Spectroscopic Properties of 1,2-Benzothiazine Derivatives: An Experimental and DFT Study.,
Chinese J. Struct. Chem, 2015 |
| 187. |
<a href="MemberDetails.aspx?memberID=19" title="Dr. Farhan A. Khan">Farhan Khan</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Muhammad Ali,Abdul Saeed ,<a href="MemberDetails.aspx?memberID=20" title="Dr. Aneela Maalik">A.Maalik</a>
Pharmacological importance of an ethnobotanical plant; Capsicum annuum (L),
Natural Product Research, 2014 |
| 188. |
<a href="MemberDetails.aspx?memberID=7" title="Dr. Muhammad Hanif">M.Hanif</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Aromaticity of azines through dyotropic double hydrogen transfer reaction,
Journal of Molecular Modeling, 2014 |
| 189. |
Sarah Saleem,Ahmad Nauman Shah Saqib,Adnan Mujahid,<a href="MemberDetails.aspx?memberID=7" title="Dr. Muhammad Hanif">M.Hanif</a>,Ghulam Mustafa,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Amir Waseem,<a href="MemberDetails.aspx?memberID=11" title="Dr. Abdur Rahman Khan">A.R. Khan</a>
Extraction of Pb (II) from Water Samples by Ionic Liquid Modified Silica Sorbents,
Desalination and Water Treatment, 2014 |
| 190. |
<a href="MemberDetails.aspx?memberID=7" title="Dr. Muhammad Hanif">M.Hanif</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=11" title="Dr. Abdur Rahman Khan">A.R. Khan</a>
Extraction of Pb(II) from water samples by ionic liquid modified silica sorbents,
Desalination and Water Traetment, 2014 |
| 191. |
Ayesha Babar,Huma Khalid,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,Sarah Saleem,Amir Waseem,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,Munawar Ali Munawar,Ghulam Abbas,Ather Farooq Khan
Synthesis, characterization and density functional theory study of some new 2-anilinothiazoles,
J Mol Struct, 2014 |
| 192. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=19" title="Dr. Farhan A. Khan">Farhan Khan</a>
DFT Studies of Biphenyl Derivatives,Potential Application as Chiral Dopants for Liquid Crystals,
Journal of Chemical Society of Pakistan, 2014 |
| 193. |
<a href="MemberDetails.aspx?memberID=7" title="Dr. Muhammad Hanif">M.Hanif</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>,<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>
Copper Complexes of Bioactive Ligands with Superoxide Dismutase Activity,
Mini-Reviews in Medicinal Chemistry, 2013 |
| 194. |
<a href="MemberDetails.aspx?memberID=10" title="Dr. Khurshid Ayub">Khurshid Ayub</a>,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
DFT studies of halogen bonding abilities of nitrobenzene with halogens and Chlorofluoro carbons,
Journal of the Chemical Society of Pakistan, 2013 |
| 195. |
Claudia Percivalle,Sylvain Ladame,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Two-in-one: a pH-sensitive, acridine-based, fluorescent probe binds G-quadruplexes in oncogene promoters,
Medicinal Chemical Communication, 2013 |
| 196. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Closing the ring to bring up the light: Synthesis of a hexacyclic acridinium cyanine dye,
Chemistry-A European Journal , 2012 |
| 197. |
I. U. Khan,M. Zia-ur-Rehman,<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>, M. Ashfaq,S. Ahmad
1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1H-2λ6,1- benzothiazine-2,2-dione.,
Acta Crystallographica Section E, 2012 |
| 198. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Acridine-containing mono-, tri-, penta- and heptamethine cyanine dyes: Synthesis, spectroscopic and DNA binding properties of new class of fluoromodules,
Journal of Organic Chemistry, 2009 |
| 199. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Selective binding of L-glutamate derivative in aqueous solvents,
Organic & Biomolecular Chemistry, 2008 |
| 200. |
<a href="MemberDetails.aspx?memberID=289" title="Dr. Tariq Mahmood">T. Mahmood</a>
Structure determination of salvadorin novel dimeric dihydrocoumarin, by NMR spectroscopy,
Magnetic Resonance in Chemistry, 2008 |
