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A 3D-RISM integral equation study of a hydrated dipeptide
Authors:Hiroshi Iwasaki  Shinnosuke Gyoubu  Tsutomu Kawatsu  Shinichi Miura
Institution:1. School of Mathematics and Physics, Kanazawa University, Kanazawa 920-1192, Japaniwasaki@cs.s.kanazawa-u.ac.jp;3. Graduate School of Natural Science and Technology, Kanazawa University, Kanazawa 920-1192, Japan;4. School of Mathematics and Physics, Kanazawa University, Kanazawa 920-1192, Japan;5. Institute for Molecular Science, Okazaki 444-8585, Japan
Abstract:
Keywords:3D-RISM integral equation theory  alanine dipeptide  dihedral angles
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