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Multicomponent Molecular Orbital-Climbing Image-Nudged Elastic Band Method to Analyze Chemical Reactions Including

Taro Udagawa1, Kimichi Suzuki2, Masanori Tachikawa2

  • 1Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University, Yanagido 1-1, Gifu, 501-1193, Japan. udagawa@gifu-u.ac.jp.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|August 22, 2015
PubMed

Keywords:
H/D isotope effecthydrogen transfer reactionmulticomponent calculationsnuclear quantum effectnudged elastic band

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