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Largely Reduced Grid Densities in a Vibrational Self-Consistent Field Treatment Do Not Significantly Impact the ResultingWavenumbers
Lutz, Oliver, Rode, Bernd, Bonn, Günther, Huck, ChristianVolume:
19
Language:
english
Journal:
Molecules
DOI:
10.3390/molecules191221253
Date:
December, 2014
File:
PDF, 928 KB
english, 2014