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Journal of Chemical Theory and Computation
|
December 17, 2016
Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
The Journal of Chemical Physics
|
May 12, 2023
PluginPlay: Enabling exascale scientific software one module at a time
Ryan M Richard, Kristopher Keipert, Jonathan Waldrop, et al.
Journal of Chemical Theory and Computation
|
September 28, 2023
A Perspective on Sustainable Computational Chemistry Software Development and Integration
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, et al.
Chemical Reviews
|
March 31, 2021
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape
Karol Kowalski, Raymond Bair, Nicholas P Bauman, et al.
Journal of Chemical Theory and Computation
|
May 11, 2017
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Robert M Parrish, Lori A Burns, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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Search research articles
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Showing results (21-30 of 27) with videos related to
Sort By:
Page
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You have reached the last page of results.
This site can display upto 27 results.
Journal of Chemical Theory and Computation
|
December 17, 2016
Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods
O Dolgounitcheva, Manuel Díaz-Tinoco, V G Zakrzewski, et al.
The Journal of Chemical Physics
|
May 12, 2023
PluginPlay: Enabling exascale scientific software one module at a time
Ryan M Richard, Kristopher Keipert, Jonathan Waldrop, et al.
Journal of Chemical Theory and Computation
|
September 28, 2023
A Perspective on Sustainable Computational Chemistry Software Development and Integration
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, et al.
Chemical Reviews
|
March 31, 2021
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape
Karol Kowalski, Raymond Bair, Nicholas P Bauman, et al.
Journal of Chemical Theory and Computation
|
May 11, 2017
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Robert M Parrish, Lori A Burns, Daniel G A Smith, et al.
The Journal of Chemical Physics
|
September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
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of 3