Uncertainties in Scaling Factors for ab Initio Vibrational Frequencies-Reference-Cited by-同舟云学术

Uncertainties in Scaling Factors for ab Initio Vibrational Frequencies

Published:2005-08-26 Issue:37 Volume:109 Page:8430-8437
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Irikura Karl K.¹,Johnson Russell D.¹,Kacker Raghu N.¹

Affiliation:

1. Physical and Chemical Properties Division and Mathematical and Computational Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp052793n

Reference43 articles.

1. Prediction of vtbrational spectra by the CNDO/2 force method

2. Direct Scaling of Primitive Valence Force Constants: An Alternative Approach to Scaled Quantum Mechanical Force Fields

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