Ab initio calculation of vibrational force fields: Determination of non-redundant symmetry coordinates by least-square component analysis-Reference-Cited by-同舟云学术

Ab initio calculation of vibrational force fields: Determination of non-redundant symmetry coordinates by least-square component analysis

Published:1993-04 Issue:4 Volume:49 Page:571-580
ISSN:0584-8539
Container-title:Spectrochimica Acta Part A: Molecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular Spectroscopy

Author:

Allouche A.,Pourcin J.

Publisher

Elsevier BV

Subject

General Engineering

Reference18 articles.

1. M. J. Frisch, M. Head-Gordon, H. B. Schlegel, K. Raghavachari, J. S. Binkley, C. Gonzalez, D. J. Defrees, D. J. Fox, R. A. Whiteside, R. Seeger, C. F. Melius, J. Baker, R. L. Martin, L. R. Kahn, J. J. P. Stewart, E. M. Fluder, S. Topiol and J. A. Pople, GAUSSIAN 88. Gaussian, Inc., Pittsburgh, PA.

2. Decomposition of normal-coordinate vibrational frequencies

3. Ab initio calculation of force fields and vibrational spectra;Fogarasi,1985

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