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Application of reference-modified density functional theory: Temperature and pressure dependences of solvation free energy.
Sumi, Tomonari; Maruyama, Yutaka; Mitsutake, Ayori; Mochizuki, Kenji; Koga, Kenichiro.
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  • Sumi T; Division of Superconducting and Functional Materials, Research Institute for Interdisciplinary Science, Okayama University, 3-1-1 Tsushima-Naka, Kita-ku, Okayama, 700-8530, Japan.
  • Maruyama Y; Department of Chemistry, Faculty of Science, Okayama University, 3-1-1 Tsushima-Naka, Kita-ku, Okayama, 700-8530, Japan.
  • Mitsutake A; Co-Design Team, FLAGSHIP 2020 Project, RIKEN Advanced Institute for Computational Science, 7-1-26, Minatojima-minami-machi, Kobe, 650-0047, Japan.
  • Mochizuki K; Department of Physics, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, Kanagawa, 223-8522, Japan.
  • Koga K; Division of Superconducting and Functional Materials, Research Institute for Interdisciplinary Science, Okayama University, 3-1-1 Tsushima-Naka, Kita-ku, Okayama, 700-8530, Japan.
J Comput Chem ; 39(4): 202-217, 2018 02 05.
Article en En | MEDLINE | ID: mdl-29116647
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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article País de afiliación: Japón
Texto completo
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XML
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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2018 Tipo del documento: Article País de afiliación: Japón