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. Scholes; Carles Curutchet

doi:10.1002/9780470515235.ch3

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. Scholes

Carles Curutchet

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Original language	English (US)
Title of host publication	Continuum Solvation Models in Chemical Physics
Subtitle of host publication	From Theory to Applications
Publisher	John Wiley & Sons, Ltd
Pages	313-497
Number of pages	185
ISBN (Print)	9780470029381
DOIs	https://doi.org/10.1002/9780470515235.ch3
State	Published - Dec 7 2007
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Chemistry

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

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10.1002/9780470515235.ch3

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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

@inbook{6bb3088069ec472781a64aa7bebc2d7a,

title = "Chemical Reactivity in the Ground and the Excited State",

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",

author = "Maurizio Persico and Nadia Rega and Maurizio Cossi and Ignacio Soteras and Dami{\'a}n Blanco and Oscar Huertas and Axel Bidon-Chanal and Luque, \{F. Javier\} and Truhlar, \{Donald G.\} and Pliego, \{Josefredo R.\} and Ladanyi, \{Branka M.\} and Newton, \{Marshall D.\} and Wolfgang Domcke and Sobolewski, \{Andrzej L.\} and Damien Laage and Irene Burghardt and Hynes, \{James T.\} and Giovanni Granucci and Huxter, \{Vanessa M.\} and Scholes, \{Gregory D.\} and Carles Curutchet",

year = "2007",

month = dec,

day = "7",

doi = "10.1002/9780470515235.ch3",

language = "English (US)",

isbn = "9780470029381",

pages = "313--497",

booktitle = "Continuum Solvation Models in Chemical Physics",

publisher = "John Wiley \& Sons, Ltd",

}

Persico, M, Rega, N, Cossi, M, Soteras, I, Blanco, D, Huertas, O, Bidon-Chanal, A, Luque, FJ, Truhlar, DG, Pliego, JR, Ladanyi, BM, Newton, MD, Domcke, W, Sobolewski, AL, Laage, D, Burghardt, I, Hynes, JT, Granucci, G, Huxter, VM, Scholes, GD & Curutchet, C 2007, Chemical Reactivity in the Ground and the Excited State. in Continuum Solvation Models in Chemical Physics: From Theory to Applications. John Wiley & Sons, Ltd, pp. 313-497. https://doi.org/10.1002/9780470515235.ch3

TY - CHAP

T1 - Chemical Reactivity in the Ground and the Excited State

AU - Persico, Maurizio

AU - Rega, Nadia

AU - Cossi, Maurizio

AU - Soteras, Ignacio

AU - Blanco, Damián

AU - Huertas, Oscar

AU - Bidon-Chanal, Axel

AU - Luque, F. Javier

AU - Truhlar, Donald G.

AU - Pliego, Josefredo R.

AU - Ladanyi, Branka M.

AU - Newton, Marshall D.

AU - Domcke, Wolfgang

AU - Sobolewski, Andrzej L.

AU - Laage, Damien

AU - Burghardt, Irene

AU - Hynes, James T.

AU - Granucci, Giovanni

AU - Huxter, Vanessa M.

AU - Scholes, Gregory D.

AU - Curutchet, Carles

PY - 2007/12/7

Y1 - 2007/12/7

KW - Atom-atom interaction parameters

KW - Cavitation energy

KW - Geometry optimizations and frequency calculations

KW - Pierotti's hard sphere formalism

KW - Polarizable continuum model (PCM) calculations

KW - Potential energy surfaces (PES)

KW - Solute electronic polarization

KW - Solute-solvent interactions

KW - Solvent-induced geometrical distortions

KW - Stable precursor complexes

UR - https://www.scopus.com/pages/publications/84889295591

UR - https://www.scopus.com/pages/publications/84889295591#tab=citedBy

U2 - 10.1002/9780470515235.ch3

DO - 10.1002/9780470515235.ch3

M3 - Chapter

AN - SCOPUS:84889295591

SN - 9780470029381

SP - 313

EP - 497

BT - Continuum Solvation Models in Chemical Physics

PB - John Wiley & Sons, Ltd

ER -

Chemical Reactivity in the Ground and the Excited State

All Science Journal Classification (ASJC) codes

Keywords

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