Covalent Bond Fragmentation Suitable To Describe Solids in the Fragment Molecular Orbital Method
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- Dmitri G. Fedorov
- Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan, Department of Chemistry, University of Copenhagen, 2100 Copenhagen, Denmark, Department of Chemical Sciences, Tezpur University, Napaam, Tezpur 784028, Assam, India, and Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan
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- Jan H. Jensen
- Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan, Department of Chemistry, University of Copenhagen, 2100 Copenhagen, Denmark, Department of Chemical Sciences, Tezpur University, Napaam, Tezpur 784028, Assam, India, and Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan
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- Ramesh C. Deka
- Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan, Department of Chemistry, University of Copenhagen, 2100 Copenhagen, Denmark, Department of Chemical Sciences, Tezpur University, Napaam, Tezpur 784028, Assam, India, and Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan
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- Kazuo Kitaura
- Research Institute for Computational Sciences, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan, Department of Chemistry, University of Copenhagen, 2100 Copenhagen, Denmark, Department of Chemical Sciences, Tezpur University, Napaam, Tezpur 784028, Assam, India, and Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan
収録刊行物
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- The Journal of Physical Chemistry A
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The Journal of Physical Chemistry A 112 (46), 11808-11816, 2008-10-23
American Chemical Society (ACS)