A fragment molecular-orbital-multicomponent molecular-orbital method for analyzing HD isotope effects in large

Takayoshi Ishimoto1, Masanori Tachikawa, Umpei Nagashima

  • 1Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, Umezono 1-1-1, Tsukuba, Ibaraki 305-8561, Japan. t.ishimoto@aist.go.jp

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