Anharmonic Vibrational Frequency Calculations Are Not...

Anharmonic Vibrational Frequency Calculations Are Not Worthwhile for Small Basis Sets

Jacobsen, Ruth L., Johnson, Russell D., Irikura, Karl K., Kacker, Raghu N.
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Volume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300293a
Date:
February, 2013
File:
PDF, 517 KB
english, 2013
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