A modern solvation theory: quantum chemistry and statistical chemistry
نویسندگان
چکیده
منابع مشابه
A modern solvation theory: quantum chemistry and statistical chemistry.
This perspective highlights recent developments in the field of statistical mechanics for molecular liquids, i.e. the integral equation (IE) theory, especially focusing on hybrid approaches incorporating quantum chemistry and IE theory. The electronic structure of solvated molecules is characterized, followed by recent developments and applications. The latter includes for some specific systems...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2013
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c3cp50247c