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Temperature-Dependent Hydrogen-Bond Geometry in Liquid Water

✍ Scribed by Modig, Kristofer; Pfrommer, Bernd G.; Halle, Bertil


Book ID
121184717
Publisher
The American Physical Society
Year
2003
Tongue
English
Weight
250 KB
Volume
90
Category
Article
ISSN
0031-9007

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Quantum Cluster Equilibrium (QCE) theory is presented for liquid ethanol, benzyl alcohol and 2,2-dimethyl-3-ethyl-3-pentanol (DMEP). The cluster equilibria that dictate phase composition are determined by the rigorous techniques of quantum statistical thermodynamics in the canonical ensemble, based