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Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 53, Issue 8, 1997, Pages 1347-1363

Ab initio derived spectroscopic quality force fields for molecular modeling and dynamics

(4) Dasgupta, Siddharth a Brameld, Ken A a Fan, C F a Goddard III, William A a

a CALIFORNIA INSTITUTE OF TECHNOLOGY (United States)

Author keywords

Force fields; Molecular modeling; Vibrational frequencies

Indexed keywords

EID: 0001186664 PISSN: 13861425 EISSN: None Source Type: Journal
DOI: 10.1016/S1386-1425(97)00035-8 Document Type: Article

Times cited : (19)

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