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02951nam a22003615i 4500 |
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978-1-4020-8270-2 |
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20191027003024.0 |
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cr nn 008mamaa |
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100715s2008 ne | s |||| 0|eng d |
| 020 |
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|a 9781402082702
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| 024 |
7 |
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|a 10.1007/978-1-4020-8270-2
|2 doi
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| 040 |
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|a Sistema de Bibliotecas del Tecnológico de Costa Rica
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| 245 |
1 |
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|a Solvation Effects on Molecules and Biomolecules
|b Computational Methods and Applications /
|c edited by Sylvio Canuto.
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| 250 |
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|a 1st ed. 2008.
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| 260 |
# |
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|a Dordrecht :
|b Springer Netherlands :
|b Imprint: Springer,
|c 2008.
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| 300 |
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|a IV, 500 p. 160 illus., 60 illus. in color.
|b online resource.
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| 336 |
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|a text
|b txt
|2 rdacontent
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| 337 |
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|a computer
|b c
|2 rdamedia
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| 338 |
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|a online resource
|b cr
|2 rdacarrier
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| 490 |
1 |
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|a Challenges and Advances in Computational Chemistry and Physics,
|v 6
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| 505 |
0 |
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|a 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.
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| 650 |
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|a Chemistry, Physical and theoretical.
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| 650 |
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|a Physical chemistry.
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| 650 |
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|a Molecular biology.
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| 650 |
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|a Materials science.
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| 650 |
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4 |
|a Theoretical and Computational Chemistry.
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| 650 |
2 |
4 |
|a Physical Chemistry.
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| 650 |
2 |
4 |
|a Molecular Medicine.
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| 650 |
2 |
4 |
|a Materials Science, general.
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| 700 |
1 |
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|a Canuto, Sylvio.
|e editor.
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| 710 |
2 |
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|a SpringerLink (Online service)
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| 773 |
0 |
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|t Springer eBooks
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| 856 |
4 |
0 |
|u https://doi.org/10.1007/978-1-4020-8270-2
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