Evaluation of MP2, DFT, and DFT-D Methods for the...

Journal of Physical Chemistry A 2009 / 06 Vol. 113; Iss. 22

Evaluation of MP2, DFT, and DFT-D Methods for the Prediction of Infrared Spectra of Peptides

Bouteiller, Yves, Poully, Jean Christophe, Desfrançois, Charles, Grégoire, Gilles
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Volume:
113
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp901570r
Date:
June, 2009
File:
PDF, 207 KB
english, 2009
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