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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|September 20, 2014
A dual approach to study the electro-optical properties of a noncentrosymmetric L-asparagine monohydrateMohd Shkir, Shabbir Muhammad, S AlFaify, et al.ACS Omega|August 8, 2022
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 ReactionsNaveen Kosar, Khurshid Ayub, Mazhar Amjad Gilani, et al.ACS Omega|July 5, 2022
Toward the Noninvasive Diagnosis of Alzheimer's Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-βBeenish Khurshid, Ashfaq Ur Rehman, Shabbir Muhammad, et al.Journal of Molecular Graphics & Modelling|July 9, 2016
Tuning the push-pull configuration for efficient second-order nonlinear optical properties in some chalcone derivativesShabbir Muhammad, Abdullah G Al-Sehemi, Ahmad Irfan, et al.International Journal of Molecular Sciences|December 11, 2022
A First-Principles Investigation on the Structural, Optoelectronic, and Thermoelectric Properties of Pyrochlore Oxides (La<sub>2</sub>Tm<sub>2</sub>O<sub>7</sub> (Tm = Hf, Zr)) for Energy ApplicationsZeesham Abbas, Sajjad Hussain, Shabbir Muhammad, et al.Journal of Molecular Graphics & Modelling|June 7, 2017
Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles studyAhmad Irfan, Aijaz Rasool Chaudhry, Shabbir Muhammad, et al.Physical Chemistry Chemical Physics : PCCP|June 30, 2018
Stimulating intra- and intermolecular charge transfer and nonlinear optical response for biphenalenyl biradicaloid dimer under an external electric fieldFeng-Wei Gao, Hong-Liang Xu, Shabbir Muhammad, et al.Journal of Molecular Modeling|July 12, 2019
Thermal decomposition of syn- and anti-dihydropyrenes; functional group-dependent decomposition pathwayBibi Saima, Yan Alexander Wang, Riaz Hussain, et al.ACS Omega|May 8, 2023
Study of the Crystal Architecture, Optoelectronic Characteristics, and Nonlinear Optical Properties of 4-Amino Antipyrine Schiff BasesAmsaveni Arumugam, Ramesh Shanmugam, Saravanabhavan Munusamy, et al.Journal of Molecular Graphics & Modelling|December 4, 2018
A systematic study of the effects of thionation in naphthalene dimide derivatives to tune their nonlinear optical propertiesChin-Hung Lai, Shabbir Muhammad, Abdullah G Al-Sehemi, et al.Pageof 11