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Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium-to-large molecular systems
Piccardo, Matteo, Bloino, Julien, Barone, VincenzoVolume:
115
Language:
english
Journal:
International Journal of Quantum Chemistry
DOI:
10.1002/qua.24931
Date:
August, 2015
File:
PDF, 1.25 MB
english, 2015