Multipole-based force fields from ab initio interaction energies and the need for jointly refitting all intermolecular parameters

Journal of Chemical Theory and Computation

Volumn 9, Issue 3, 2013, Pages 1499-1511

  Kramer, Christian ^a,b   Gedeck, Peter ^c   Meuwly, Markus ^b  

^a NOVARTIS PHARMA AG   (Switzerland)

^b UNIVERSITY OF BASEL   (Switzerland)

^c Novartis Institutes for Tropical Diseases   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84874819580     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300888f     Document Type: Article

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