Chemical Reactivity in the Ground and the Excited State

Maurizio Persico, Nadia Rega, Maurizio Cossi, Ignacio Soteras, Damián 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, Giovanni Granucci, Vanessa M. Huxter, Gregory D. ScholesCarles Curutchet

Research output: Chapter in Book/Report/Conference proceedingChapter

Original languageEnglish (US)
Title of host publicationContinuum Solvation Models in Chemical Physics
Subtitle of host publicationFrom Theory to Applications
PublisherJohn Wiley & Sons, Ltd
Number of pages185
ISBN (Print)9780470029381
StatePublished - Dec 7 2007
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Chemistry


  • Atom-atom interaction parameters
  • Cavitation energy
  • Geometry optimizations and frequency calculations
  • Pierotti's hard sphere formalism
  • Polarizable continuum model (PCM) calculations
  • Potential energy surfaces (PES)
  • Solute electronic polarization
  • Solute-solvent interactions
  • Solvent-induced geometrical distortions
  • Stable precursor complexes


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