Majeed S. Shaik

Shell (India) — India

Physics and Astronomy · Physical Sciences

11h-index528citations13works0.02yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(6), Molecular spectroscopy and chirality(4), Hydrocarbon exploration and reservoir analysis(3), Advanced Chemical Physics Studies(2), Protein Structure and Dynamics(2)

Publications13 total

Computing contact angles for oil–water–rock systems via thermodynamic integration
The Journal of Chemical Physics·2022· 5 citedOpen Access
Generation of ground truth images to validate micro-CT image-processing pipelines
The Leading Edge·2018· 57 cited
Liquid–Vapor Phase Behavior of Asphaltene-like Molecules
Industrial & Engineering Chemistry Research·2014· 11 cited
Evaluation of the Performance of GAFF and CGenFF in the Prediction of Liquid–Vapor Saturation Properties of Naphthalene Derivatives
Industrial & Engineering Chemistry Research·2014· 12 cited
Aqueous Imidazole Solutions: A Structural Perspective from Simulations with High-Rank Electrostatic Multipole Moments
The Journal of Physical Chemistry B·2011· 28 cited
Calculation of Raman Optical Activity Spectra of Methyl-β-<scp>d</scp>-Glucose Incorporating a Full Molecular Dynamics Simulation of Hydration Effects
Journal of the American Chemical Society·2011· 116 cited
The dynamic behavior of a liquid ethanol–water mixture: a perspective from quantum chemical topology
Physical Chemistry Chemical Physics·2011· 25 cited
Properties of liquid water from a systematic refinement of a high-rank multipolar electrostatic potential
The Journal of Chemical Physics·2010· 44 cited
An investigation of the conductivity of peptide nanotube networks prepared by enzyme-triggered self-assembly
Nanoscale·2010· 148 cited
Simulation of liquid imidazole using a high-rank quantum topological electrostatic potential
Physical Chemistry Chemical Physics·2010· 24 citedOpen Access
The importance of multipole moments when describing water and hydrated amino acid cluster geometry
Molecular Physics·2008· 34 citedOpen Access
Calculation of the relative acidities and oxidation potentials of para-substituted phenols. A model for α-tocopherol in solution
Organic & Biomolecular Chemistry·2007· 5 cited
Transferability of Quantum Topological Atoms in Terms of Electrostatic Interaction Energy
The Journal of Physical Chemistry A·2006· 19 cited

Frequent Co-authors

Paul L. A. Popelier(9), Steven Y. Liem(4), Vaibhaw Kumar(2), Kaustubh Rane(2), Scott Wierzchowski(2), Jeffrey R. Errington(2), Haixia Xu(1), Apurba K. Das(1), Masaki Horie(1), Andrew M. Smith(1), Yi Luo(1), Xiaofeng Lu(1), Richard F. Collins(1), Aimin Song(1), Michael L. Turner(1), Ping Xiao(1), Ian A. Kinloch(1), Rein V. Ulijn(1), James R. Cheeseman(1), Ewan W. Blanch(1)