Applicability of the SQM Force Field Method to the Vibrational Spectra of Sodium Acetate-Reference-Cited by-同舟云学术

Applicability of the SQM Force Field Method to the Vibrational Spectra of Sodium Acetate

Published:2005-08-11 Issue:35 Volume:109 Page:7938-7945
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Keresztury Gábor¹,István Krisztina¹,Sundius Tom¹

Affiliation:

1. Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary, and Department of Physical Sciences, University of Helsinki, P.O. Box 64, FIN-00014 Helsinki, Finland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp044792l

Reference26 articles.

1. Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

2. The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

3. Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields

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

5. Analysis of vibrational spectra of some new E- and Z-4-arylidene-3-isochromanones

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