Solvation Effects on Molecules and Biomolecules, Fachbücher

Chapter 1 - Solvation models for molecular properties: continuum versus discrete approaches(Benedetta Mennucci) Chapter 2 - The multipole moment expansion solvent continuum model: a brief review(Manuel F. Ruiz-López) Chapter 3 - The Discrete Reaction Field approach for calculating solvent effects(Piet Th. van Duijnen, Marcel Swart, and Lasse Jensen) Chapter 4 - Thermochemical Analysis of the Hydration of Neutral Solutes(Axel Bidon-Chanal, Jose María López, Modesto Orozco, and F. Javier Luque) Chapter 5 - Electronic properties of hydrogen bond networks: implications for solvent effects in polar liquids(Silvia Gomes Estácio, Hugo F. M. C. Martiniano, Paulo Cabral do Couto, and Benedito José Costa Cabral) Chapter 6 - Solvent effects on radiative and non-radiative excited state decays(Aurora Muñoz Losa, Ignacio Fdez. Galván, M. Elena Martín, and Manuel A. Aguilar) Chapter 7 - The sequential QM/MM method and its applications to solvent effects in electronic and structural properties of solutes(Kaline Coutinho, Robert Rivelino, Herbert C. Georg, and Sylvio Canuto) Chapter 8 - Statistical Mechanical Modeling of Chemical Reactions in Condensed Phase Systems(Andrea Amadei, Massimiliano Aschi, and Alfredo Di Nola) Chapter 9 - An explicit quantum chemical solvent model for strongly coupled solute{solvent systems in ground or excited state(Anders Ö hrn and Gunnar Karlströ m) Chapter 10 - Molecular Dynamics Simulation Methods including Quantum Effects(Thomas S. Hofer, Bernhard R. Randolf, and Bernd M. Rode) Chapter 11 - Solvation in Polymers(Hossein Eslami, and Florian Mü ller-Plathe) Chapter 12 - Hydrogen bonds and solvent effects in soil processes: a theoretical view(Daniel Tunega, Adelia J. A. Aquino, Georg Haberhauer, Martin H. Gerzabek, and Hans Lischka) Chapter 13 - Linear Response Theory in Connection to Density Functional Theory/Molecular Dynamics and Coupled Cluster/Molecular Dynamics Methods(Kestutis Aidas, Jacob Kongsted, and Kurt V. Mikkelsen) Chapter 14 - Combined QM/MM methods for the simulation of condensed phase processes using an approximate DFT approach(Marcus Elstner and Qiang Cui) Chapter 15 - Solvation of Hydrogen Bonded Systems: CH··O, OH··O, and Cooperativity(Steve Scheiner) Chapter 16 - Solvation in Supercritical Fluids(Ana C. Furlan, Frank W. Fávero, Javier Rodriguez, Daniel Laria, and Munir S. Skaf) Chapter 17 - 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(Hideaki Takahashi, Nobuyuki Matubayasi, and Masayoshi Nakano) Chapter 18 - Quantifying Solvation Effects on Peptide Conformations: A QM/MM Replica Exchange Study(Gustavo M. Seabra, Ross C. Walker, and Adrian E. Roitberg).