Anharmonic Downward Distortion Following for Automated Exploration of Quantum Chemical Potential Energy Surfaces
Author(s) -
Satoshi Maeda,
Tetsuya Taketsugu,
Keiji Morokuma,
Koichi Ohno
Publication year - 2014
Publication title -
bulletin of the chemical society of japan
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.145
H-Index - 99
eISSN - 1348-0634
pISSN - 0009-2673
DOI - 10.1246/bcsj.20140189
Subject(s) - anharmonicity , chemistry , potential energy surface , quantum chemical , maxima and minima , distortion (music) , potential energy , dissociation (chemistry) , photodissociation , computational chemistry , energy landscape , quantum , molecule , transition state , statistical physics , nanotechnology , chemical physics , catalysis , quantum mechanics , computer science , physics , photochemistry , organic chemistry , amplifier , mathematical analysis , computer network , biochemistry , mathematics , materials science , bandwidth (computing)
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