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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.Volume:
109
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp051742n
Date:
November, 2005
File:
PDF, 72 KB
english, 2005