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Updated: Jul 19, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

Electron-electron and electron-nucleus correlation effects on exponent values of Gaussian-type functions for quantum

Takayoshi Ishimoto1, Masanori Tachikawa, Umpei Nagashima

  • 1Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology, Umezono 1-1-1, Tsukuba, Ibaraki 305-8568, Japan. t.ishimoto@aist.go.jp

The Journal of Chemical Physics
|October 18, 2006
PubMed

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