Solvation Effects on Molecules and Biomolecules - eerste uitgave

EAN (ISBN-13): 9781402082702
ISBN (ISBN-10): 1402082703
Verschijningsjaar: 2010
Uitgever: Springer-Verlag
500 Bladzijden
Taal: eng/Englisch

Boek bevindt zich in het datenbestand sinds 2012-06-21T03:45:54+02:00 (Amsterdam)
Detailpagina laatst gewijzigd op 2023-06-28T06:43:32+02:00 (Amsterdam)
ISBN/EAN: 1402082703

ISBN - alternatieve schrijfwijzen:
1-4020-8270-3, 978-1-4020-8270-2
alternatieve schrijfwijzen en verwante zoekwoorden:
Auteur van het boek: canuto
Titel van het boek: solva

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Gegevens van de uitgever

Auteur: Sylvio Canuto
Titel: Challenges and Advances in Computational Chemistry and Physics; Solvation Effects on Molecules and Biomolecules - Computational Methods and Applications
Uitgeverij: Springer; Springer Netherland
500 Bladzijden
Verschijningsjaar: 2010-07-03
Dordrecht; NL
Taal: Engels
394,83 € (DE)
405,90 € (AT)
448,50 CHF (CH)
Available
IV, 500 p. 160 illus., 60 illus. in color.

EA; E107; eBook; Nonbooks, PBS / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Cluster; Hydra; free-energy studies; solvation chemistry; solvation effects; solvation properties of biomolecules; spectroscopy; supercritical solvents; C; Theoretical Chemistry; Physical Chemistry; Biomedical Research; Materials Science; Chemistry and Materials Science; Physikalische Chemie; Medizinische Forschung; Materialwissenschaft; BB

Solvation Models for Molecular Properties: Continuum Versus Discrete Approaches.- The multipole moment expansion solvent continuum model: a brief review.- The Discrete Reaction Field approach for calculating solvent effects.- Thermochemical Analysis of the Hydration of Neutral Solutes.- Electronic Properties of Hydrogen Bond Networks: Implications for Solvent Effects in Polar Liquids.- Solvent Effects on Radiative and Non-Radiative Excited State Decays.- The Sequential qm/mm Method and its Applications to Solvent Effects in Electronic and Structural Properties of Solutes.- Statistical Mechanical Modeling of Chemical Reactions in Condensed Phase Systems.- An explicit quantum chemical solvent model for strongly coupled solute–solvent systems in ground or excited state.- Molecular Dynamics Simulation Methods including Quantum Effects.- Solvation In Polymers.- Hydrogen Bonds And Solvent Effects In Soil Processes: A Theoretical View.- Linear Response Theory in Connection to Density Functional Theory/Molecular Dynamics and Coupled Cluster/Molecular Dynamics Methods.- Combined QM/MM methods for the simulation of condensed phase processes using an approximate DFT approach.- Solvation of Hydrogen Bonded Systems: CH···O, OH···O, and Cooperativity.- Solvation in Supercritical Fluids.- A Quantum Chemical Approach to Free Energy Calculation for Chemical Reactions in Condensed System: Combination of a Quantum Chemical Method with a Theory of Statistical Mechanics.- Quantifying Solvation Effects on Peptide Conformations: A QM/MM Replica Exchange Study.
Provides a quantum mechanical overview of solvation problems A single source guide to 'state of the art' theoretical chemistry methods which have been specifically developed to handle solvation effects