Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors-Reference-Cited by-同舟云学术

Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Published:1996-01-01 Issue:41 Volume:100 Page:16502-16513
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Scott Anthony P.¹,Radom Leo¹

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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