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
Pages313-497
Number of pages185
ISBN (Print)9780470029381
DOIs
StatePublished - Dec 7 2007
Externally publishedYes

Keywords

  • 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

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Persico, M., Rega, N., Cossi, M., Soteras, I., Blanco, D., Huertas, O., Bidon-Chanal, A., Luque, F. J., Truhlar, D. G., Pliego, J. R., Ladanyi, B. M., Newton, M. D., Domcke, W., Sobolewski, A. L., Laage, D., Burghardt, I., Hynes, J. T., Granucci, G., Huxter, V. M., ... Curutchet, C. (2007). Chemical Reactivity in the Ground and the Excited State. In Continuum Solvation Models in Chemical Physics: From Theory to Applications (pp. 313-497). John Wiley & Sons, Ltd. https://doi.org/10.1002/9780470515235.ch3