Mobile block Hessian approach with adjoined blocks: An efficient approach for the calculation of frequencies in macromolecules

Journal of Chemical Theory and Computation

Volumn 5, Issue 5, 2009, Pages 1203-1215

  Ghysels, A ^a   Van Speybroeck, V ^a   Pauwels, E ^a   Van Neck, D ^a   Brooks, B R ^b   Waroquier, M ^a  

^a GHENT UNIVERSITY   (Belgium)

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

Author keywords

[No Author keywords available]

Indexed keywords

EID: 66749146094     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct800489r     Document Type: Article

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