Tariq Mahmood

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 25

Top Venues

Molecules (Basel, Switzerland)

ACS omega

Journal of molecular modeling

Physical chemistry chemical physics : PCCP

COMSATS Institute of Information Technology - Abbottabad

University of Karachi HEJ Research Institute of Chemistry (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

COMSATS Institute of Information Technology - Abbottabad

Pakistan

Associate Professor :: Chemistry

Education History

University of Karachi HEJ Research Institute of Chemistry

Pakistan

PHD

Publications

Aqsa Salamat, Naveen Kosar, Ayesha Mohyuddin, Muhammad Imran, Muhammad Nauman Zahid, Tariq Mahmood
SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein. Molecules (Basel, Switzerland) 29 (5) (2024)
Misbah Asif, Naveen Kosar, Hasnain Sajid, Sana Qureshi, Mazhar Amjad Gilani, Khurshid Ayub, Muhammad Arshad, Muhammad Imran, Malai Haniti S A Hamid, Imene Bayach, Nadeem S Sheikh, Tariq Mahmood
Exploring the Sensing Potential of g-C 3 N 4 versus Li/g-C 3 N 4 Nanoflakes toward Hazardous Organic Volatiles: A DFT Simulation Study. ACS omega 9 (3) (2024)
Aqsa Salamat, Naveen Kosar, Ayesha Mohyuddin, Muhammad Imran, Muhammad Nauman Zahid, Tariq Mahmood
SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein. Molecules (Basel, Switzerland) 29 (5) (2024)
Khalida Khalil, null Shahnaz, Ralf Ludwig, Ammar M Tighezza, Khurshid Ayub, Tariq Mahmood, Mazhar Amjad Gilani
Unraveling the role of superalkalis in modulating the static and dynamic hyperpolarizabilities of emerging calix[4]arenes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Aqsa Salamat, Naveen Kosar, Ayesha Mohyuddin, Muhammad Imran, Muhammad Nauman Zahid, Tariq Mahmood
SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein. Molecules (Basel, Switzerland) 29 (5) (2024)
Khalida Khalil, null Shahnaz, Ralf Ludwig, Ammar M Tighezza, Khurshid Ayub, Tariq Mahmood, Mazhar Amjad Gilani
Unraveling the role of superalkalis in modulating the static and dynamic hyperpolarizabilities of emerging calix[4]arenes. Physical chemistry chemical physics : PCCP (2024)
Khalida Khalil, null Shahnaz, Ralf Ludwig, Ammar M Tighezza, Khurshid Ayub, Tariq Mahmood, Mazhar Amjad Gilani
Unraveling the role of superalkalis in modulating the static and dynamic hyperpolarizabilities of emerging calix[4]arenes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Misbah Asif, Naveen Kosar, Hasnain Sajid, Sana Qureshi, Mazhar Amjad Gilani, Khurshid Ayub, Muhammad Arshad, Muhammad Imran, Malai Haniti S A Hamid, Imene Bayach, Nadeem S Sheikh, Tariq Mahmood
Exploring the Sensing Potential of g-C 3 N 4 versus Li/g-C 3 N 4 Nanoflakes toward Hazardous Organic Volatiles: A DFT Simulation Study. ACS omega 9 (3) (2024)
Aqsa Nisar, Sobia Tabassum, Khurshid Ayub, Tariq Mahmood, Hamad AlMohamadi, Asim Laeeq Khan, Muhammad Yasin, R Nawaz, Mazhar Amjad Gilani
Photoswitchable nonlinear optical properties of azobenzene-based supramolecular complexes: insights from density functional theory. Physical chemistry chemical physics : PCCP (2023)
Naveen Kosar, Saba Kanwal, Malai Haniti S A Hamid, Khurshid Ayub, Mazhar Amjad Gilani, Muhammad Imran, Muhammad Arshad, Mohammed A Alkhalifah, Nadeem S Sheikh, Tariq Mahmood
Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes. Molecules (Basel, Switzerland) 28 (17) (2023)
Muhammad Nauman Zahid, Naveen Kosar, Hasnain Sajid, Khalid Elfakki Ibrahim, Mansour K Gatasheh, Tariq Mahmood
Unveiling the Potential of B 3 O 3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis. Molecules (Basel, Switzerland) 28 (24) (2023)
Abdulrahman Allangawi, Naveen Kosar, Khurshid Ayub, Mazhar Amjad Gilani, Nur Hazimah Binti Zainal Arfan, Malai Haniti Sheikh Abdul Hamid, Muhammad Imran, Nadeem S Sheikh, Tariq Mahmood
Decorating Mg 12 O 12 Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction. ACS omega 8 (41) (2023)
Muhammad Nauman Zahid, Naveen Kosar, Hasnain Sajid, Khalid Elfakki Ibrahim, Mansour K Gatasheh, Tariq Mahmood
Unveiling the Potential of B 3 O 3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis. Molecules (Basel, Switzerland) 28 (24) (2023)
Muhammad Aetizaz, Faizan Ullah, Sehrish Sarfaraz, Tariq Mahmood, Khurshid Ayub
Robust and facile detection of formaldehyde through transition metals doped olympicene sensors: a step forward DFT investigation. RSC advances 13 (42) (2023)
Uroosa Sohail, Faizan Ullah, Tariq Mahmood, Shabbir Muhammad, Khurshid Ayub
Adsorption of Industrial Gases (CH 4 , CO 2 , and CO) on Olympicene: A DFT and CCSD(T) Investigation. ACS omega 7 (22) (2022)
Rehana Bano, Khurshid Ayub, Tariq Mahmood, Muhammad Arshad, Ahsan Sharif, Sobia Tabassum, Mazhar Amjad Gilani
Mixed superalkalis are a better choice than pure superalkalis for B 12 N 12 nanocages to design high-performance nonlinear optical materials. Dalton transactions (Cambridge, England : 2003) 51 (21) (2022)
Shumaila Majeed, Muhammad Tahir Waseem, Gul Shahzada Khan, Hafiz Muhammad Junaid, Muhammad Imran, Shamyla Nawazish, Tausif Ahmad Khan, Tariq Mahmood, Sohail Anjum Shahzad
Development of AIEE active fluorescent and colorimetric probe for the solid, solution, and vapor phase detection of cyanide: smartphone and food applications. The Analyst 147 (17) (2022)
Naveen Kosar, Khurshid Ayub, Mazhar Amjad Gilani, Shabbir Muhammad, Tariq Mahmood
Benchmark Density Functional Theory Approach for the Calculation of Bond Dissociation Energies of the M-O 2 Bond: A Key Step in Water Splitting Reactions. ACS omega 7 (24) (2022)
Hasnain Sajid, Sidra Khan, Khurshid Ayub, Mazhar Amjad Gilani, Tariq Mahmood, Umar Farooq, Mohammed Salim Akhter
Ab initio study for superior sensitivity of graphyne nanoflake towards nitrogen halides over ammonia. Journal of molecular modeling 28 (6) (2022)
Shumaila Majeed, Muhammad Tahir Waseem, Hafiz Muhammad Junaid, Gul Shahzada Khan, Shamyla Nawazish, Tariq Mahmood, Asad Muhammad Khan, Sohail Anjum Shahzad
Aggregation induced emission based fluorenes as dual-channel fluorescent probes for rapid detection of cyanide: applications of smartphones and logic gates. RSC advances 12 (29) (2022)
Misbah Asif, Hasnain Sajid, Khurshid Ayub, Mazhar Amjad Gilani, Mohammed Salim Akhter, Tariq Mahmood
Electrochemical sensing behavior of graphdiyne nanoflake towards uric acid: a quantum chemical approach. Journal of molecular modeling 27 (9) (2021)
Sunaina Wajid, Naveen Kosar, Faizan Ullah, Mazhar Amjad Gilani, Khurshid Ayub, Shabbir Muhammad, Tariq Mahmood
Demonstrating the Potential of Alkali Metal-Doped Cyclic C6O6Li6 Organometallics as Electrides and High-Performance NLO Materials. ACS omega 6 (44) (2021)
Hasnain Sajid, Faizan Ullah, Sidra Khan, Khurshid Ayub, Muhammad Arshad, Tariq Mahmood
Remarkable static and dynamic NLO response of alkali and superalkali doped macrocyclic [hexa-]thiophene complexes; a DFT approach. RSC advances 11 (7) (2021)
Hasnain Sajid, Sidra Khan, Khurshid Ayub, Tariq Mahmood
Effective adsorption of A-series chemical warfare agents on graphdiyne nanoflake: a DFT study. Journal of molecular modeling 27 (4) (2021)
Naveen Kosar, Khurshid Ayub, Mazhar Amjad Gilani, Tariq Mahmood
Benchmark DFT studies on C-CN homolytic cleavage and screening the substitution effect on bond dissociation energy. Journal of molecular modeling 25 (2) (2019)

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Publication Activity (10 Years)

Top Topics

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Tariq Mahmood