N-Arylation of Protected and Unprotected 5-Bromo-2-aminobenzimidazole as Organic Material: Non-Linear Optical (NLO) Properties and Structural Feature Determination through Computat...

por Mumtaz, Mubeen, Rasool, Nasir, Ahmad, Gulraiz, Kosar, Naveen, Rashid, Umer
Publicado 2021

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

por Kosar, Naveen, Ayub, Khurshid, Gilani, Mazhar Amjad, Muhammad, Shabbir, Mahmood, Tariq
Publicado 2022

Demonstrating the Potential of Alkali Metal-Doped Cyclic C(6)O(6)Li(6) Organometallics as Electrides and High-Performance NLO Materials

por Wajid, Sunaina, Kosar, Naveen, Ullah, Faizan, Gilani, Mazhar Amjad, Ayub, Khurshid, Muhammad, Shabbir, Mahmood, Tariq
Publicado 2021

Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes

por Kosar, Naveen, Kanwal, Saba, Hamid, Malai Haniti S. A., Ayub, Khurshid, Gilani, Mazhar Amjad, Imran, Muhammad, Arshad, Muhammad, Alkhalifah, Mohammed A., Sheikh, Nadeem S., Mahmood, Tariq
Publicado 2023

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C(6)O(6)Li(6) electrides

por Kosar, Naveen, Wajid, Sunaina, Ayub, Khurshid, Gilani, Mazhar Amjad, Binti Zainal Arfan, Nur Hazimah, Sheikh Abdul Hamid, Malai Haniti, Imran, Muhammad, Sheikh, Nadeem S., Mahmood, Tariq
Publicado 2023

Decorating Mg(12)O(12) Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction

por Allangawi, Abdulrahman, Kosar, Naveen, Ayub, Khurshid, Gilani, Mazhar Amjad, Zainal Arfan, Nur Hazimah Binti, Hamid, Malai Haniti Sheikh Abdul, Imran, Muhammad, Sheikh, Nadeem S., Mahmood, Tariq
Publicado 2023

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...

por Nazeer, Usman, Rasool, Nasir, Mujahid, Aqsa, Mansha, Asim, Zubair, Muhammad, Kosar, Naveen, Mahmood, Tariq, Raza Shah, Ali, Shah, Syed Adnan Ali, Zakaria, Zainul Amiruddin, Akhtar, Muhammad Nadeem
Publicado 2020