Scaling of Computed Cyano-Stretching Frequencies and IR Intensities of Nitriles, Their Anions, and Radicals-Reference-Cited by-同舟云学术

Scaling of Computed Cyano-Stretching Frequencies and IR Intensities of Nitriles, Their Anions, and Radicals

Published:2010-03-30 Issue:15 Volume:114 Page:5149-5161
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Stoyanov Simeon S.¹

Affiliation:

1. Department of Structural Organic Analysis, Institute of Organic Chemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., Block 9, 1113 Sofia, Bulgaria

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp908400g

Reference109 articles.

1. Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities

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

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