Continuum Solvation Models In Chemical Physics From Theory To Applications Benedetta Mennucci by Benedetta Mennucci, Roberto Cammi 9780470029381, 9780470515235, 0470029382, 0470515236 instant download after payment.
This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed.
- Devoted to solvation models in which reviews of the theory, the computational implementation
- Solvation continuum models are treated using the different points of view from experts belonging to different research fields
- Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application
- Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments
- Four-colour representation of the computational modeling throughout.
Content:
Chapter 1 Modern Theories of Continuum Models (pages 1–123): Jacopo Tomasi, Eric Cances, Christian Silvio Pomelli, Marco Caricato, Giovanni Scalmani, Michael J. Frisch, Roberto Cammi, Michail V. Basilevsky, Gennady N. Chuev and Benedetta Mennucci
Chapter 2 Properties and Spectroscopies (pages 125–312): Joanna Sadlej, Magdalena Pecul, Vincenzo Barone, Paola Cimino, Michele Pavone, Chiara Cappelli, Philip J. Stephens, Frank J. Devlin, Kenneth Ruud, Werner Hug, Roberto Cammi, Benedetta Mennucci, Antonio Rizzo, Alberta Ferrarini, Hans Agren, Kurt V. Mikkelsen, Stefano Corni and Luca Frediani
Chapter 3 Chemical Reactivity in the Ground and the Excited State (pages 313–497): Maurizio Cossi, Nadia Rega, Ignacio Soteras, Damian Blanco, Oscar Huertas, Axel Bidon?Chanal, F. Javier Luque, Donald G. Truhlar, Josefredo R. Pliego, Branka M. Ladanyi, Marshall D. Newton, Wolfgang Domcke, Andrzej L. Sobolewski, Damien Laage, Irene Burghardt, James T. Hynes, Maurizio Persico, Giovanni Granucci, Vanessa M. Huxter, Gregory D. Scholes and Carles Curutchet
Chapter 4 Beyond the Continuum Approach (pages 499–605): Modesto Orozco, Ivan Marchan, Ignacio Soteras, Thom Vreven, Keiji Morokuma, Kurt V. Mikkelsen, Alberto Milani, Matteo Tommasini, Mirella Del Zoppo, Chiara Castiglioni, Manuel A. Aguilar, Maria L. Sanchez, M. Elena Martin, Ignacio Fdez. Galvan and Hirofumi Sato
