Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies

Published 2010 View Full Article

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Title
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 6, Issue 7, Pages 2115-2125
Publisher
American Chemical Society (ACS)
Online
2010-06-17
DOI
10.1021/ct100212p

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