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From Atomistic Calculations to Thermodynamic Quantities
2011This chapter gives a short summary of well-established as well as more recent pathways for extracting information about thermodynamic equilibrium quantities out of microscopic calculations, which are based on different approximations of quantum mechanics and as such only provide information about mechanical properties at first. The standard rigid rotor
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Treatment of excess thermodynamic quantities for liquid mixtures
Journal of Solution Chemistry, 1997Jacques E Desnoyers, Gerald Perron
exaly
Thermodynamic Quantities of Surface Formation of Aqueous Electrolyte Solutions
Journal of Colloid and Interface Science, 2001Norihiro Matubayasi, Yutaka Natsukari
exaly
Thermodynamic Quantities for the Ionization Reactions of Buffers
Journal of Physical and Chemical Reference Data, 2002Robert N Goldberg, Rebecca M Lennen
exaly
Thermodynamic Quantities of Surface Formation of Aqueous Electrolyte Solutions
Journal of Colloid and Interface Science, 1999Norihiro Matubayasi +2 more
exaly
Thermodynamic quantities of adsorption described by Freundlich isotherm
Russian Chemical Bulletin, 2000Leonid Asnin +2 more
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