Concepedia

M. Devereux

MD

23

Publications

566

Citations

17

H-Index

2004

Active since

Affiliations

University of Basel(Current)

University of Manchester

Centre National de la Recherche Scientifique

Laboratoire de Chimie Théorique

Sorbonne Université

M. Devereux is an author at University of Basel specializing in engineering, quantum chemistry, and natural sciences.

Top concepts

EngineeringNatural SciencesQuantum ChemistryChemistryBiophysicsComputational ChemistryPhysicsMolecular DesignPhysical ChemistryBiochemistry

Publications per year

2004–2024

23

Publications

23

A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics Simulations

M. Devereux, Shampa Raghunathan, Dmitri G. Fedorov et al. · Journal of Chemical Theory and Computation · 2014 · 45 citations

Rendering of quantum topological atoms and bonds

M. Z. Rafat, M. Devereux, Paul L. A. Popelier · Journal of Molecular Graphics and Modelling · 2005 · 43 citations

Quantum Science, Engineering, Physics +7

Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics

Oliver T. Unke, M. Devereux, Markus Meuwly · The Journal of Chemical Physics · 2017 · 42 citations

Engineering, Computational Complexity, Computational Chemistry +23

The Effects of Hydrogen-Bonding Environment on the Polarization and Electronic Properties of Water Molecules

M. Devereux, Paul L. A. Popelier · The Journal of Physical Chemistry A · 2007 · 34 citations

Engineering, Physics, Natural Sciences +15

A refined model for prediction of hydrogen bond acidity and basicity parameters from quantum chemical molecular descriptors

M. Devereux, Paul L. A. Popelier, Iain M. McLay · Physical Chemistry Chemical Physics · 2009 · 32 citations

Hydrogen Bond Acidity, Engineering, Hydrogen Bond Acids +15

Rows per page

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