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Journal of Chemical Theory and Computation
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November 28, 2015
Applications of Screened Hybrid Density Functionals with Empirical Dispersion Corrections to Rare Gas Dimers and Solids
Kazim E Yousaf, Edward N Brothers
Journal of Chemical Theory and Computation
|
December 4, 2015
Parametrization of Atomic Energies to Improve Small Basis Set Density Functional Thermochemistry
Edward N Brothers, Gustavo E Scuseria
The Journal of Physical Chemistry. A
|
November 27, 2008
Enhanced enthalpies of formation from density functional theory through molecular reference states
Edward N Brothers, Gustavo E Scuseria
Journal of the American Chemical Society
|
March 24, 2005
Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis
Hwangseo Park, Edward N Brothers, Kenneth M Merz
Inorganic Chemistry
|
December 22, 2016
The Distinctive Electronic Structures of Rhenium Tris(thiolate) Complexes, an Unexpected Contrast to the Valence Isoelectronic Ruthenium Tris(thiolate) Complexes
Hao Tang, Edward N Brothers, Michael B Hall
Biochemistry
|
May 23, 2002
Insights into the structure and dynamics of the dinuclear zinc beta-lactamase site from Bacteroides fragilis
Dimas Suárez, Edward N Brothers, Kenneth M Merz
Journal of Computational Chemistry
|
December 23, 2017
What Happens Without Nickel? Cyclization Reactions of Ethylene with Ethanedithial and Related Molecules
Mohamed F Shibl, Salvador Moncho, Edward N Brothers
Inorganic Chemistry
|
August 30, 2014
Computational exploration of alternative catalysts for olefin purification: cobalt and copper analogues inspired by nickel bis(dithiolene) electrocatalysis
Haixia Li, Edward N Brothers, Michael B Hall
Journal of Chemical Theory and Computation
|
November 20, 2015
Accurate Surface Chemistry beyond the Generalized Gradient Approximation: Illustrations for Graphene Adatoms
Benjamin G Janesko, Veronica Barone, Edward N Brothers
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2023
Electrocatalytic reduction of CO<sub>2</sub> on size-selected nanoclusters of first-row transition metal nanoclusters: a comprehensive mechanistic investigation
Rajesh Kumar Raju, Paramaconi Rodriguez, Edward N Brothers
Page
of 7
Search research articles
Search
Showing results (1-10 of 63) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 28, 2015
Applications of Screened Hybrid Density Functionals with Empirical Dispersion Corrections to Rare Gas Dimers and Solids
Kazim E Yousaf, Edward N Brothers
Journal of Chemical Theory and Computation
|
December 4, 2015
Parametrization of Atomic Energies to Improve Small Basis Set Density Functional Thermochemistry
Edward N Brothers, Gustavo E Scuseria
The Journal of Physical Chemistry. A
|
November 27, 2008
Enhanced enthalpies of formation from density functional theory through molecular reference states
Edward N Brothers, Gustavo E Scuseria
Journal of the American Chemical Society
|
March 24, 2005
Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis
Hwangseo Park, Edward N Brothers, Kenneth M Merz
Inorganic Chemistry
|
December 22, 2016
The Distinctive Electronic Structures of Rhenium Tris(thiolate) Complexes, an Unexpected Contrast to the Valence Isoelectronic Ruthenium Tris(thiolate) Complexes
Hao Tang, Edward N Brothers, Michael B Hall
Biochemistry
|
May 23, 2002
Insights into the structure and dynamics of the dinuclear zinc beta-lactamase site from Bacteroides fragilis
Dimas Suárez, Edward N Brothers, Kenneth M Merz
Journal of Computational Chemistry
|
December 23, 2017
What Happens Without Nickel? Cyclization Reactions of Ethylene with Ethanedithial and Related Molecules
Mohamed F Shibl, Salvador Moncho, Edward N Brothers
Inorganic Chemistry
|
August 30, 2014
Computational exploration of alternative catalysts for olefin purification: cobalt and copper analogues inspired by nickel bis(dithiolene) electrocatalysis
Haixia Li, Edward N Brothers, Michael B Hall
Journal of Chemical Theory and Computation
|
November 20, 2015
Accurate Surface Chemistry beyond the Generalized Gradient Approximation: Illustrations for Graphene Adatoms
Benjamin G Janesko, Veronica Barone, Edward N Brothers
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2023
Electrocatalytic reduction of CO<sub>2</sub> on size-selected nanoclusters of first-row transition metal nanoclusters: a comprehensive mechanistic investigation
Rajesh Kumar Raju, Paramaconi Rodriguez, Edward N Brothers
Page
of 7