Shabbir Muhammad
Shabbir Muhammad
Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha 61413
Verified email at
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Quantum Mechanical Design and Structure of the Li@B10H14 Basket with a Remarkably Enhanced Electro-Optical Response
S Muhammad, H Xu, Y Liao, Y Kan, Z Su
Journal of the American Chemical Society 131 (33), 11833-11840, 2009
Quantum chemical design of nonlinear optical materials by sp 2-hybridized carbon nanomaterials: issues and opportunities
S Muhammad, HL Xu, RL Zhong, ZM Su, AG Al-Sehemi, A Irfan
Journal of Materials Chemistry C 1 (35), 5439-5449, 2013
Giant enhancement of the second hyperpolarizabilities of open-shell singlet polyaromatic diphenalenyl diradicaloids by an external electric field and donor–acceptor substitution
M Nakano, T Minami, K Yoneda, S Muhammad, R Kishi, Y Shigeta, ...
The Journal of Physical Chemistry Letters 2 (9), 1094-1098, 2011
The stability and nonlinear optical properties: encapsulation of an excess electron compound LiCN⋯ Li within boron nitride nanotubes
RL Zhong, HL Xu, S Muhammad, J Zhang, ZM Su
Journal of Materials Chemistry 22 (5), 2196-2202, 2012
Prediction of remarkably large second-order nonlinear optical properties of organoimido-substituted hexamolybdates
MRSA Janjua, CG Liu, W Guan, J Zhuang, S Muhammad, LK Yan, ZM Su
The Journal of Physical Chemistry A 113 (15), 3576-3587, 2009
Quantum chemical study of benzimidazole derivatives to tune the second-order nonlinear optical molecular switching by proton abstraction
S Muhammad, H Xu, MRSA Janjua, Z Su, M Nadeem
Physical Chemistry Chemical Physics 12 (18), 4791-4799, 2010
An investigation on the key features of a D–π–A type novel chalcone derivative for opto-electronic applications
M Shkir, S Muhammad, S AlFaify, A Irfan, PS Patil, M Arora, H Algarni, ...
RSC advances 5 (106), 87320-87332, 2015
Redox and photoisomerization switching the second-order nonlinear optical properties of a tetrathiafulvalene derivative across six states: a DFT study
CG Liu, ZM Su, XH Guan, S Muhammad
The Journal of Physical Chemistry C 115 (48), 23946-23954, 2011
A new type of organic–inorganic hybrid NLO-phore with large off-diagonal first hyperpolarizability tensors: a two-dimensional approach
S Muhammad, H Xu, Z Su, K Fukuda, R Kishi, Y Shigeta, M Nakano
Dalton Transactions 42 (42), 15053-15062, 2013
Investigation of dibenzoboroles having π-electrons: toward a new type of two-dimensional NLO molecular switch?
S Muhammad, MRSA Janjua, Z Su
The Journal of Physical Chemistry C 113 (28), 12551-12557, 2009
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 …
S Muhammad, H Xu, Z Su
The Journal of Physical Chemistry A 115 (5), 923-931, 2011
Levenberg-Marquardt algorithm for Karachi Stock Exchange share rates forecasting
SMA Burney, TA Jilani, C Ardil, S Muhammad
International Journal of Computational Intelligence 1 (3), 144-149, 2005
Designing three‐dimensional (3D) non‐fullerene small molecule acceptors with efficient photovoltaic parameters
M Ans, J Iqbal, Z Ahmad, S Muhammad, R Hussain, B Eliasson, K Ayub
ChemistrySelect 3 (45), 12797-12804, 2018
First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones
S Muhammad, AG Al-Sehemi, Z Su, H Xu, A Irfan, AR Chaudhry
Journal of Molecular Graphics and Modelling 72, 58-69, 2017
Tuning the push–pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives
S Muhammad, AG Al-Sehemi, A Irfan, AR Chaudhry
Journal of Molecular Graphics and Modelling 68, 95-105, 2016
Boron/nitrogen substitution of the central carbon atoms of the biphenalenyl diradical π dimer: a novel 2e–12c bond and large NLO responses
RL Zhong, J Zhang, S Muhammad, YY Hu, HL Xu, ZM Su
Chemistry–A European Journal 17 (42), 11773-11779, 2011
Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells
MU Khan, J Iqbal, M Khalid, R Hussain, AAC Braga, M Hussain, ...
RSC advances 9 (45), 26402-26418, 2019
Zinc-doped boron phosphide nanocluster as efficient sensor for SO2
S Hussain, SAS Chatha, AI Hussain, R Hussain, MY Mehboob, ...
Journal of Chemistry 2020, 2020
Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials
S Muhammad, M Nakano, AG Al-Sehemi, Y Kitagawa, A Irfan, ...
Nanoscale 8 (42), 17998-18020, 2016
How the number and location of lithium atoms affect the first hyperpolarizability of graphene
YY Hu, SL Sun, S Muhammad, HL Xu, ZM Su
The Journal of Physical Chemistry C 114 (46), 19792-19798, 2010
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