Ab initio derived spectroscopic quality force fields for molecular modeling and dynamics.
Siddharth Dasgupta, Kenneth A. Brameld, C.-F. Fan, William A. Goddard III
1997Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 53(8), 1347–136319cited
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Dasgupta, S., Brameld, K. A., Fan, C., & III, W. A. G. (1997). Ab initio derived spectroscopic quality force fields for molecular modeling and dynamics.. *Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy*, *53*(8), 1347–1363. https://doi.org/10.1016/S1386-1425(97)00035-8