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Angewandte Chemie (International Ed. in English)|May 2, 2018
Cooperative Hydrogen Bonding and Enzyme CatalysisHong Guo, Dennis R SalahubPhysical Chemistry Chemical Physics : PCCP|April 7, 2022
Multiscale molecular modelling: from electronic structure to dynamics of nanosystems and beyondDennis R SalahubJournal of Chemical Theory and Computation|November 29, 2015
Multilevel Fragment-Based Approach (MFBA): A Novel Hybrid Computational Method for the Study of Large MoleculesJan Řezáč, Dennis R SalahubJournal of the American Chemical Society|March 17, 2015
Molybdenum carbide nanocatalysts at work in the in situ environment: a density functional tight-binding and quantum mechanical/molecular mechanical studyXingchen Liu, Dennis R SalahubJournal of Chemical Theory and Computation|September 26, 2025
Toward Versatility: A Flexible Generalized Gradient Approximation Exchange FunctionalSankha Ghosh, Amr Oshi, Dennis R SalahubThe Journal of Chemical Physics|March 20, 2026
New range-separated screened and full-range hybrid functionalsSankha Ghosh, Amr Oshi, Dennis R SalahubThe Journal of Chemical Physics|January 22, 2008
Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methodsFlorian Janetzko, Andreas M Köster, Dennis R SalahubPhysical Chemistry Chemical Physics : PCCP|February 28, 2017
Electronic properties of carbon nanotubes complexed with a DNA nucleotideMorteza Chehelamirani, Maurício C da Silva, Dennis R SalahubJournal of Computational Chemistry|December 23, 2006
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculationsPetr Jurecka, Jirí Cerný, Pavel Hobza, et al.Interdisciplinary Sciences, Computational Life Sciences|July 20, 2010
Na(+), K (+) and Tl(+) hydration from QM/MM computations and MD simulations with a polarizable force fieldBogdan B Lev, Dennis R Salahub, Sergei Yu NoskovPageof 218