High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials: Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations-Reference-Cited by-同舟云学术

High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials: Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations

Published:2005-10-14 Issue:44 Volume:109 Page:10092-10099
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lynch Vanessa Audette¹,Mielke Steven L.¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputer Institute, University of Minnesota, 207 Pleasant Street S.E., Minneapolis, Minnesota 55455-0431, and Department of Chemistry, Northwestern University, Evanston, Illinois 60208-3113

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp051742n

Reference67 articles.

1. The Calculation of Thermodynamic Functions from Spectroscopic Data.

2. The Water Vapor Molecule

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