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Material Type: Artigo
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Ligand migration in myoglobin: A combined study of computer simulation and x-ray crystallographyTsuduki, Takayuki ; Tomita, Ayana ; Koshihara, Shin-ya ; Adachi, Shin-ichi ; Yamato, TakahisaThe Journal of chemical physics, 2012-04, Vol.136 (16), p.165101-165101-9 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Structure of ionic liquids of 1-alkyl-3-methylimidazolium cations a systematic computer simulation studySergio M. Urahata Mauro Carlos Costa RibeiroJournal of Chemical Physics New York v. 120, n. 4, p. 1855-1863, 2004New York 2004Item não circula. Consulte sua biblioteca.(Acessar) |
3 |
Material Type: Artigo
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Structure of ionic liquids of 1-alkyl-3-methylimidazolium cations a systematic computer simulation studySergio M. Urahata Mauro Carlos Costa RibeiroJournal of Chemical Physics New York v. 120, n. 4, p. 1855-1863, 2004New York 2004Item não circula. Consulte sua biblioteca.(Acessar) |
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Material Type: Artigo
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Computer simulations of cesium–water clusters: Do ion–water clusters form gas-phase clathrates?Smith, David E. ; Dang, Liem X.The Journal of chemical physics, 1994-11, Vol.101 (9), p.7873-7881 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Computer simulation study of thermodynamic scaling of dynamics of '2CA'(N'O IND. 3') 'IND. 2''PONTO' 3KN'O IND. 3'Mauro Carlos Costa Ribeiro Tullio Scopigno; Giancarlo RuoccoJournal of Chemical Physics Melville v. 135, art. 164510, p. 1-9, 2011Melville 2011Item não circula. Consulte sua biblioteca.(Acessar) |
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Material Type: Artigo
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Computer simulations of dense hard-sphere systemsRintoul, M. D. ; Torquato, S.The Journal of chemical physics, 1996-11, Vol.105 (20), p.9258-9265 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Can the visual molecular configuration in computer simulations locate solid–fluid phase boundaries? The case of C60Hasegawa, M. ; Ohno, K.The Journal of chemical physics, 2000-09, Vol.113 (10), p.4315-4319 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Large scale molecular dynamics simulations of homogeneous nucleationDiemand, Jürg ; Angélil, Raymond ; Tanaka, Kyoko K ; Tanaka, HidekazuThe Journal of chemical physics, 2013-08, Vol.139 (7), p.074309-074309 [Periódico revisado por pares]United StatesTexto completo disponível |
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Material Type: Artigo
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Study of Li atom diffusion in amorphous Li3PO4 with neural network potentialLi, Wenwen ; Ando, Yasunobu ; Minamitani, Emi ; Watanabe, SatoshiThe Journal of chemical physics, 2017-12, Vol.147 (21), p.214106-214106 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Structure and phase behavior of high-density ice from molecular-dynamics simulations with the ReaxFF potentialAdachi, Yuji ; Koga, KenichiroThe Journal of chemical physics, 2020-09, Vol.153 (11), p.114501-114501 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |