Solvation Effects on Molecules and Biomolecules

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 Öhrn and Gunnar Karlström) 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 FlorianMüller-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 -

Prof. Sylvio Canuto (editor of this review volume) is a professor of physics at University of Sao Paulo and is presently serving as: A member of the advisory editorial board of the Chemical Physics Letters (Elsevier); a member of the editorial board of the International Journal of Quantum Chemistry (John Wiley); a specialist editor of the Computer Physics Communications (North Holland); an associate editor of the Brazilian Journal of Physics; a member of the editorial board of the Journal of Computational Methods in Science and Engineering; a member of the International Scientific Advisory Board of the Journal of the Argentine Chemical Society. In addition to these duties, he is co-editor of the following SI volumes: an International Journal of Quantum Chemistry, 106 (2006) issue no. 13; an International Journal of Quantum Chemistry, 103 (2005) issue no. 5.; the Journal of Molecular Structure (Theochem), 464 (1999) issue 1-3.; the Brazilian Journal of Physics, 34 (2004) issue 1.; and the Brazilian Journal of Physics, 24 (1994) (part of) issue 4.

Prof. Canuto has co-edited the following books: Electronic Structure of Atoms, Molecules and Solids. Proceedings of the 2nd Brazilian School on Electronic Structure. J. DÁ. Castro, S. Canuto and F. Paixao. World Scientific, 1990.; and I Escola Brasileira de Estrutura Eletrônica, Ed. Universidade de Brasília (1989), 587 pages (in portuguese) and co-authored: Teoria Quântica de Moléculas e Sólidos, ed. Livraria da Física, (2004), 400 pages (in portuguese) J D M Vianna, A. Fazzio and S. Canuto.