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Journal of Chemical Theory and Computation
|
November 21, 2015
Explicitly Correlated Methods within the ccCA Methodology
Andrew Mahler, Angela K Wilson
The Journal of Chemical Physics
|
March 2, 2015
Correlation consistent basis sets for the atoms In-Xe
Andrew Mahler, Angela K Wilson
The Journal of Chemical Physics
|
June 24, 2017
Why are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactions
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 23, 2014
High-potential perfluorinated phthalocyanine-fullerene dyads for generation of high-energy charge-separated states: formation and photoinduced electron-transfer studies
Sushanta K Das, Andrew Mahler, Angela K Wilson, et al.
The Journal of Chemical Physics
|
July 2, 2018
When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Journal of Computational Chemistry
|
March 23, 2019
Tunable model promoters in DFT simulations of catalysts
Andrew Mahler, Kassidy Panno, Benjamin G Janesko, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 21, 2015
Explicitly Correlated Methods within the ccCA Methodology
Andrew Mahler, Angela K Wilson
The Journal of Chemical Physics
|
March 2, 2015
Correlation consistent basis sets for the atoms In-Xe
Andrew Mahler, Angela K Wilson
The Journal of Chemical Physics
|
June 24, 2017
Why are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactions
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 23, 2014
High-potential perfluorinated phthalocyanine-fullerene dyads for generation of high-energy charge-separated states: formation and photoinduced electron-transfer studies
Sushanta K Das, Andrew Mahler, Angela K Wilson, et al.
The Journal of Chemical Physics
|
July 2, 2018
When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Journal of Computational Chemistry
|
March 23, 2019
Tunable model promoters in DFT simulations of catalysts
Andrew Mahler, Kassidy Panno, Benjamin G Janesko, et al.
Page
of 1