Quantum Thermochemistry: Multistructural Method with Torsional Anharmonicity Based on a Coupled Torsional Potential-Reference-Cited by-同舟云学术

Quantum Thermochemistry: Multistructural Method with Torsional Anharmonicity Based on a Coupled Torsional Potential

Published:2013-02-11 Issue:3 Volume:9 Page:1356-1367
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zheng Jingjing¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3010722

Reference59 articles.

1. Pitzer, K. S.Quantum Chemistry;McGraw-Hill:Englewood Cliffs, NJ, 1953; pp205–278.

2. A simple approximation for the vibrational partition function of a hindered internal rotation

3. Ab initiostatistical thermodynamical models for the computation of third-law entropies

4. The hindered rotor density-of-states interpolation function

5. 1999, 111, 7165–7165(E).

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