Molecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations

Journal of Chemical Physics

Volumn 112, Issue 3, 2000, Pages 1133-1149

  Cui, Qiang ^a   Karplus, Martin ^a,b  

^a HARVARD UNIVERSITY   (United States)

^b UNIVERSITÉ LOUIS PASTEUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000206128     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480658     Document Type: Article

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