Scaled Quantum Chemical Force Fields for 1,1-Difluorocyclopropane and the Influence of Vibrational Anharmonicity-Reference-Cited by-同舟云学术

Scaled Quantum Chemical Force Fields for 1,1-Difluorocyclopropane and the Influence of Vibrational Anharmonicity

Published:2008-06-27 Issue:29 Volume:112 Page:6760-6771
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

McKean Donald C.¹,Craig Norman C.¹,Law Mark M.¹

Affiliation:

1. School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh EH9 3JJ, U.K., Department of Chemistry and Biochemistry, Oberlin College, Oberlin, Ohio 44074, and Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, U.K.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp800628x

Reference38 articles.

1. Vibrational Spectroscopy of 1,1-Difluorocyclopropane-d0, -d2, and -d4: The Equilibrium Structure of Difluorocyclopropane

2. 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

3. Individual CH bond strengths in simple organic compounds: effects of conformation and substitution

4. Infrared Spectra and Quantum-Chemical Studies of Disilylmethanes

5. Quantum-chemical studies of ethyl fluoride: structure, scaled force fields and electrical properties

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