A New Approach to Vibrational Analysis of Large Molecules by Density Functional Theory: Wavenumber-Linear Scaling Method
Author:
Affiliation:
1. Department of Chemistry, Graduate School of Science, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-8526, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp013084m
Reference43 articles.
1. Tables of molecular vibrational frequencies
2. Tables of Molecular Vibrational Frequencies Part 10
3. Matsuura, H.; Tasumi, M. InVibrational Spectra and Structure; Durig, J. R., Ed.; Elsevier: Amsterdam, 1983; Vol. 12, pp 69−143.
4. Vibrational analysis of polyacetylene and copoly(acetylene+acetylene‐d2): In‐plane vibrations of trans‐polyene chains
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