Efficient calculation of QM/MM frequencies with the mobile Block Hessian

Journal of Chemical Theory and Computation

Volumn 7, Issue 2, 2011, Pages 496-514

  Ghysels, An ^a   Woodcock, H Lee ^b   Larkin, Joseph D ^c   Miller, Benjamin T ^c   Shao, Yihan ^c,d   Kong, Jing ^d   Neck, Dimitri Van ^a   Speybroeck, Veronique Van ^a   Waroquier, Michel ^a   Brooks, Bernard R ^c  

^a GHENT UNIVERSITY   (Belgium)

^b UNIVERSITY OF SOUTH FLORIDA   (United States)

^c NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

^d Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79951494422     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct100473f     Document Type: Article

References (79)

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