Open AccessHigh-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials: Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations
Author(s) -
Vanessa Audette Lynch,
Steven L. Mielke,
Donald G. Truhlar
Publication year - 2006
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/jp061275p
Subject(s) - thermochemistry , path integral formulation , quantum , physics , thermodynamics , quantum mechanics
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