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Journal of Chemical Theory and Computation
|
December 1, 2015
A Parallel Iterative Method for Computing Molecular Absorption Spectra
Peter Koval, Dietrich Foerster, Olivier Coulaud
The Journal of Chemical Physics
|
June 10, 2017
A-VCI: A flexible method to efficiently compute vibrational spectra
Marc Odunlami, Vincent Le Bris, Didier Bégué, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 20, 2020
Using computed infrared intensities for the reduction of vibrational configuration interaction bases
Vincent Le Bris, Marc Odunlami, Didier Bégué, et al.
The Journal of Chemical Physics
|
June 3, 2016
Adaptive vibrational configuration interaction (A-VCI): A posteriori error estimation to efficiently compute anharmonic IR spectra
Romain Garnier, Marc Odunlami, Vincent Le Bris, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 1, 2015
A Parallel Iterative Method for Computing Molecular Absorption Spectra
Peter Koval, Dietrich Foerster, Olivier Coulaud
The Journal of Chemical Physics
|
June 10, 2017
A-VCI: A flexible method to efficiently compute vibrational spectra
Marc Odunlami, Vincent Le Bris, Didier Bégué, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 20, 2020
Using computed infrared intensities for the reduction of vibrational configuration interaction bases
Vincent Le Bris, Marc Odunlami, Didier Bégué, et al.
The Journal of Chemical Physics
|
June 3, 2016
Adaptive vibrational configuration interaction (A-VCI): A posteriori error estimation to efficiently compute anharmonic IR spectra
Romain Garnier, Marc Odunlami, Vincent Le Bris, et al.
Page
of 1