Continuum Solvation Models in Chemical Physics
From Theory to Applications
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Beschreibung
This book covers the theory and applications of continuum solvationmodels. The main focus is on the quantum-mechanical version ofthese models, but classical approaches and combined or hybridtechniques are also discussed.
* Devoted to solvation models in which reviews of the theory, thecomputational implementation
* Solvation continuum models are treated using the differentpoints of view from experts belonging to different researchfields
* Can be read at two levels: one, more introductive, and theother, more detailed (and more technical), on specific physical andnumerical aspects involved in each issue and/or application
* Possible limitations or incompleteness of models is pointed outwith, if possible, indications of future developments
* Four-colour representation of the computational modelingthroughout.
Autor*in
Benedetta Mennucci
Themen in »Continuum Solvation Models in Chemical Physics«
Chemie Chemistry Computational Chemistry & Molecular Modeling Computational Chemistry u. Molecular Modeling Physical Chemistry Physikalische Chemie