Statistical thermodynamics of bond torsional modes: tests of separable, almost-separable, and improved Pitzer-Gwinn approximations
Ellingson, Benjamin A, Lynch, Vanessa Audette, Mielke, Steven L, Truhlar, Donald G
Published in The Journal of chemical physics (28.08.2006)
Published in The Journal of chemical physics (28.08.2006)
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Journal Article
High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials: Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations
Lynch, Vanessa Audette, Mielke, Steven L, Truhlar, Donald G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.11.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10.11.2005)
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Journal Article
High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials: Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations
Lynch, Vanessa Audette, Mielke, Steven L, Truhlar, Donald G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.05.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.05.2006)
Get full text
Journal Article