Interfacing ab initio quantum mechanical method with classical drude osillator polarizable model for molecular dynamics simulation of chemical reactions

Journal of Chemical Theory and Computation

Volumn 4, Issue 8, 2008, Pages 1237-1248

  Lu, Zhenyu ^a   Zhang, Yingkai ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 58149165004     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct800116e     Document Type: Article

References (100)

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