Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
Author:
Affiliation:
1. Research School of Chemistry, Australian National University, Canberra, ACT 0200, Australia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp960976r
Reference55 articles.
1. An evaluation of AM1 calculated vibrational frequencies
2. Effect of electron correlation on theoretical vibrational frequencies
3. Molecular orbital predictions of the vibrational frequencies of some molecular ions
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