Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations - Molecular Reaction Dynamics by Theory | LabXing

array(2) { ["lab"]=> string(4) "1074" ["publication"]=> string(4) "8808" } Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations - Molecular Reaction Dynamics by Theory | LabXing

Molecular Reaction Dynamics by Theory

简介 Dynamics/Spectroscopy/Kinetics/Mechanisms

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Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations

2015

期刊 Molecular Physics

作者 Moumita Majumder · Samuel E. Hegger · Richard Dawes · Sergei Manzhos · Xiao-Gang Wang · Carrington Tucker · Jun Li · Hua Guo

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卷 113
期 13-14
页码 1823-1833
Informa UK Limited
ISSN: 0026-8976
DOI: 10.1080/00268976.2015.1015642

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