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Dennis R Salahub

Showing results (1-10 of 43) with videos related to

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Physical Chemistry Chemical Physics : PCCP|April 7, 2022
Multiscale molecular modelling: from electronic structure to dynamics of nanosystems and beyondDennis R Salahub
Journal 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 Salahub
Journal 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 Salahub
Angewandte Chemie (International Ed. in English)|May 2, 2018
Cooperative Hydrogen Bonding and Enzyme CatalysisHong Guo, Dennis R Salahub
Journal of Chemical Theory and Computation|September 26, 2025
Toward Versatility: A Flexible Generalized Gradient Approximation Exchange FunctionalSankha Ghosh, Amr Oshi, Dennis R Salahub
Cancer Biology & Therapy|April 1, 2009
Nelfinavir: a magic bullet to annihilate cancer cells?Wei Wu, Rui Zhang, Dennis R Salahub
The Journal of Chemical Physics|March 20, 2026
New range-separated screened and full-range hybrid functionalsSankha Ghosh, Amr Oshi, Dennis R Salahub
The 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 Salahub
Physical Chemistry Chemical Physics : PCCP|February 28, 2017
Electronic properties of carbon nanotubes complexed with a DNA nucleotideMorteza Chehelamirani, Maurício C da Silva, Dennis R Salahub
Journal 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.
Pageof 5

Showing results (1-10 of 43) with videos related to

Sort By:
Pageof 5
Physical Chemistry Chemical Physics : PCCP|April 7, 2022
Multiscale molecular modelling: from electronic structure to dynamics of nanosystems and beyondDennis R Salahub
Journal 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 Salahub
Journal 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 Salahub
Angewandte Chemie (International Ed. in English)|May 2, 2018
Cooperative Hydrogen Bonding and Enzyme CatalysisHong Guo, Dennis R Salahub
Journal of Chemical Theory and Computation|September 26, 2025
Toward Versatility: A Flexible Generalized Gradient Approximation Exchange FunctionalSankha Ghosh, Amr Oshi, Dennis R Salahub
Cancer Biology & Therapy|April 1, 2009
Nelfinavir: a magic bullet to annihilate cancer cells?Wei Wu, Rui Zhang, Dennis R Salahub
The Journal of Chemical Physics|March 20, 2026
New range-separated screened and full-range hybrid functionalsSankha Ghosh, Amr Oshi, Dennis R Salahub
The 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 Salahub
Physical Chemistry Chemical Physics : PCCP|February 28, 2017
Electronic properties of carbon nanotubes complexed with a DNA nucleotideMorteza Chehelamirani, Maurício C da Silva, Dennis R Salahub
Journal 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.
Pageof 5