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Toward anharmonic computations of vibrational spectra for large molecular systems

Published:2011-08-30 Issue:9 Volume:112 Page:2185-2200
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Barone Vincenzo,Biczysko Malgorzata,Bloino Julien,Borkowska-Panek Monika,Carnimeo Ivan,Panek Pawel

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference92 articles.

1. Toward black-box-type full- and reduced-dimensional variational (ro)vibrational computations

2. On the application of the IMOMO (integrated molecular orbital + molecular orbital) method

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