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Dalton Transactions (Cambridge, England : 2003)|September 3, 2013
A new type of organic-inorganic hybrid NLO-phore with large off-diagonal first hyperpolarizability tensors: a two-dimensional approachShabbir Muhammad, Hongliang Xu, Zhongmin Su, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 4, 2012
Probing the chemical functionalization of single-walled carbon nanotubes with multiple carbon ad-dimer defectsDong-Lai Wang, Hong-Liang Xu, Zhong-Min Su, et al.The Journal of Physical Chemistry. A|January 3, 2012
Halide ion complexes of decaborane (B10H14) and their derivatives: noncovalent charge transfer effect on second-order nonlinear optical propertiesShabbir Muhammad, Takuya Minami, Hitoshi Fukui, et al.Journal of Molecular Graphics & Modelling|June 27, 2017
Computational study of structural, optoelectronic and nonlinear optical properties of dynamic solid-state chalcone derivativesAijaz Rasool Chaudhry, Ahmad Irfan, Shabbir Muhammad, et al.Journal of Molecular Graphics & Modelling|January 9, 2017
First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalconesShabbir Muhammad, Abdullah G Al-Sehemi, Zhongmin Su, et al.Journal of Molecular Graphics & Modelling|July 19, 2020
Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical responseAqsa Saeed, Shabbir Muhammad, Shafiq-Ur Rehman, et al.Journal of Molecular Modeling|December 16, 2014
How does the increment of hetero-cyclic conjugated moieties affect electro-optical and charge transport properties of novel naphtha-difuran derivatives? A computational approachAijaz Rasool Chaudhry, R Ahmed, Ahmad Irfan, et al.Journal of Molecular Graphics & Modelling|October 17, 2020
Exploring the twisted molecular configurations for tuning their optical and nonlinear optical response properties: A quantum chemical approachShabbir Muhammad, Chin-Hung Lai, Abdullah G Al-Sehemi, et al.Computational Biology and Chemistry|May 21, 2025
The exploring AI-generated pyrazalone derivatives as antifungal agents: Bringing together molecular docking and quantum chemical approachesMuath Suliman, Aqsa Laraib, Shamsa Bibi, et al.ACS Omega|November 15, 2021
Demonstrating the Potential of Alkali Metal-Doped Cyclic C<sub>6</sub>O<sub>6</sub>Li<sub>6</sub> Organometallics as Electrides and High-Performance NLO MaterialsSunaina Wajid, Naveen Kosar, Faizan Ullah, et al.Pageof 11