Chapter 3

Chemical Reactivity in the Ground and the Excited State

Maurizio Cossi

Maurizio Cossi

Dipartimento di Scienze dell'Ambiente e della Vita, Università del Piemonte Orientale ‘Amedeo Avogadro’, Alessandria, Italy

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Nadia Rega

Nadia Rega

Dipartimento di Chimica Università di Napoli ‘Federico II’, Italy

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Ignacio Soteras

Ignacio Soteras

Departament de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona, Spain

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Damián Blanco

Damián Blanco

Departament de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona, Spain

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Oscar Huertas

Oscar Huertas

Departament de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona, Spain

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Axel Bidon-Chanal

Axel Bidon-Chanal

Departament de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona, Spain

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F. Javier Luque

F. Javier Luque

Departament de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona, Spain

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Donald G. Truhlar

Donald G. Truhlar

Department of Chemistry and Supercomputing Institute, University of Minnesota Minneapolis, MN, USA

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Josefredo R. Pliego Jr.

Josefredo R. Pliego Jr.

Departamento de Química, Universidade Federal de Minas Gerais, Brazil

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Branka M. Ladanyi

Branka M. Ladanyi

Department of Chemistry, Colorado State University, Fort Collins, CO, USA

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Marshall D. Newton

Marshall D. Newton

Department of Chemistry, Brookhaven National Laboratory, Upton, NY, USA

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Wolfgang Domcke

Wolfgang Domcke

Institute of Physical and Theoretical Chemistry, Technical University of Munich, Germany

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Andrzej L. Sobolewski

Andrzej L. Sobolewski

Institute of Physics, Polish Academy of Sciences, Warsaw, Poland

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Damien Laage

Damien Laage

Département de Chimie, Ecole Normale Supérieure, Paris, France

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Irene Burghardt

Irene Burghardt

Département de Chimie, Ecole Normale Supérieure, Paris, France

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James T. Hynes

James T. Hynes

Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO, USA

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Maurizio Persico

Maurizio Persico

Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Italy

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Giovanni Granucci

Giovanni Granucci

Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Italy

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Vanessa M. Huxter

Vanessa M. Huxter

Lash Miller Chemical Laboratories, Center for Quantum Information and Quantum Control, and Institute for Optical Sciences, University of Toronto, Ontario, Canada

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Gregory D. Scholes

Gregory D. Scholes

Lash Miller Chemical Laboratories, Center for Quantum Information and Quantum Control, and Institute for Optical Sciences, University of Toronto, Ontario, Canada

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Carles Curutchet

Carles Curutchet

Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica e Chimica Fisica, Università di Parma, Italy

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First published: 30 November 2007
Citations: 2

Summary

This chapter contains sections titled:

  • First and Second Derivatives of the Free Energy in Solution

  • Solvent Effects in Chemical Equilibria

  • Transition State Theory and Chemical Reaction Dynamics in Solution

  • Solvation Dynamics

  • The Role of Solvation in Electron Transfer: Theoretical and Computational Aspects

  • Electron-driven Proton Transfer Processes in the Solvation of Excited States

  • Nonequilibrium Solvation and Conical Intersections

  • Photochemistry in Condensed Phase

  • Excitation Energy Transfer and the Role of the Refractive Index

  • Modelling Solvent Effects in Photoinduced Energy and Electron Transfers: the Electronic Coupling

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