Molecular dynamics simulation study on water associated with π-electrons of benzene by using QM/MM potential

Chemical Physics Letters

Volumn 428, Issue 1-3, 2006, Pages 73-77

  Yonezawa, Yasushige ^a,b   Nakata, Kazuto ^c   Takada, Toshikazu ^c   Nakamura, Haruki ^a  

^a OSAKA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c NEC CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; COMPUTER SIMULATION; MOLECULAR BIOLOGY; MOLECULES;

CONVENTIONAL MOLECULAR MECHANICS; HISTOGRAM ANALYSIS; MOLECULAR DYNAMICS SIMULATIONS;

MOLECULAR DYNAMICS;

EID: 33747810415     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.07.032     Document Type: Article

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