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List of works by Shabbir Muhammad

A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19

scientific article published in 2023

Benchmark Density Functional Theory Approach for the Calculation of Bond Dissociation Energies of the M–O<sub>2</sub> Bond: A Key Step in Water Splitting Reactions

scientific article published in 2022

Capturing a Synergistic Effect of a Conical Push and an Inward Pull in Fluoro Derivatives of Li@B10H14 Basket: Toward a Higher Vertical Ionization Potential and Nonlinear Optical Response ⬇️

scientific article published on January 12, 2011

Exploring the optoelectronic and third-order nonlinear optical susceptibility of cross-shaped molecules: insights from molecule to material level

scientific article published on 05 January 2021

Exploring the potential of novel transition metal complexes derived from ONO donor type ligand: a quantum chemical study

scientific article published on 30 August 2019

Probing the Chemical Functionalization of Single‐Walled Carbon Nanotubes with Multiple Carbon Ad‐Dimer Defects ⬇️

scientific article published on 02 February 2012

Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials.

scientific article

Theoretical Study on Open-Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π-Stacked Dimers Composed of Weak Open-Shell Antiaromatic Porphyrins

scientific article published on 20 September 2018

i-Propylammonium Lead Chloride Based Perovskite Photocatalysts for Depolymerization of Lignin Under UV Light

scientific article published on 31 July 2020

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