| 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 | 276 | 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 | 186 | 2013 |
| 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 | 131 | 2018 |
| 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 | 126 | 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 | 126 | 2009 |
| 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 | 119 | 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 | 118 | 2013 |
| 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 | 117 | 2019 |
| Mathematical modeling and optimal control of the COVID-19 dynamics ZH Shen, YM Chu, MA Khan, S Muhammad, OA Al-Hartomy, M Higazy Results in Physics 31, 105028, 2021 | 109 | 2021 |
| 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 | 105 | 2015 |
| 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 | 103 | 2010 |
| 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 | 102 | 2017 |
| 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 | 101 | 2009 |
| 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 | 96 | 2011 |
| 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 | 90 | 2011 |
| Zinc-doped boron phosphide nanocluster as efficient sensor for SO2 S Hussain, SAS Chatha, AI Hussain, R Hussain, MY Mehboob, ... Journal of Chemistry 2020, 1-12, 2020 | 89 | 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 | 89 | 2016 |
| 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 | 88 | 2016 |
| Physical Properties of (M = Cl, Br, I): A First Principle Study - Hayatullah, G Murtaza, S Muhammad, S Naeem, M Khalid, A Manzar Acta Physica Polonica A 124 (1), 102-107, 2013 | 86 | 2013 |
| Benchmark study of the linear and nonlinear optical polarizabilities in proto-type NLO molecule of para-nitroaniline S Muhammad, RA Shehzad, J Iqbal, AG Al-Sehemi, M Saravanabhavan, ... Journal of Theoretical and Computational Chemistry 18 (06), 1950030, 2019 | 81 | 2019 |
Abdullah G. Al-sehemiProfessor Organic and computational chemistry, King Khalid UniversityVerified email at kku.edu.sa
