An Evaluation of Harmonic Vibrational Frequency Scale Factors-Reference-Cited by-同舟云学术

An Evaluation of Harmonic Vibrational Frequency Scale Factors

Published:2007-10-19 Issue:45 Volume:111 Page:11683-11700
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Merrick Jeffrey P.¹,Moran Damian¹,Radom Leo¹

Affiliation:

1. School of Chemistry and Centre of Excellence in Free Radical Chemistry and Biotechnology, University of Sydney, Sydney, New South Wales 2006, Australia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp073974n

Reference78 articles.

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

2. Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero-Point Energies from HF/6-31G* and MP2/6-31G* Harmonic Frequencies

3. Vibrational frequency prediction using density functional theory

4. Optimized Parameters for Scaling Correlation Energy

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