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From Atomistic Calculations to Thermodynamic Quantities

2011
This 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
openaire   +1 more source

Treatment of excess thermodynamic quantities for liquid mixtures

Journal of Solution Chemistry, 1997
Jacques E Desnoyers, Gerald Perron
exaly  

Thermodynamic Quantities of Surface Formation of Aqueous Electrolyte Solutions

Journal of Colloid and Interface Science, 2001
Norihiro Matubayasi, Yutaka Natsukari
exaly  

Thermodynamic Quantities for the Ionization Reactions of Buffers

Journal of Physical and Chemical Reference Data, 2002
Robert N Goldberg, Rebecca M Lennen
exaly  

Thermodynamic Quantities of Surface Formation of Aqueous Electrolyte Solutions

Journal of Colloid and Interface Science, 1999
Norihiro Matubayasi   +2 more
exaly  

Thermodynamic quantities of adsorption described by Freundlich isotherm

Russian Chemical Bulletin, 2000
Leonid Asnin   +2 more
exaly  

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