Modern Theories of Continuum Models

Jacopo Tomasi; Eric Cancès; Christian Silvio Pomelli; Marco Caricato; Giovanni Scalmani; Michael J. Frisch; Roberto Cammi; Michail V. Basilevsky; Gennady N. Chuev; Benedetta Mennucci

doi:10.1002/9780470515235.ch1

Modern Theories of Continuum Models

Jacopo Tomasi
, Eric Cancès
, Christian Silvio Pomelli
, Marco Caricato
, Giovanni Scalmani
, Michael J. Frisch
, Roberto Cammi
, Michail V. Basilevsky
, Gennady N. Chuev
, Benedetta Mennucci

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

Original language	English
Title of host publication	Continuum Solvation Models in Chemical Physics
Subtitle of host publication	From Theory to Applications
Publisher	John Wiley & Sons, Ltd
Pages	1-123
Number of pages	123
ISBN (Print)	9780470029381
DOIs	https://doi.org/10.1002/9780470515235.ch1
Publication status	Published - 7 Dec 2007

Keywords

Born-Oppenheimer approximation
Electronic ground state
Physico-chemical measurements
Potential energy surface (PES)
Quantum mechanical (QM) description
Single solute molecule
Solvation energy
Solvent polarization
Solvent-solvent interactions
Thermodynamically averaged solvent distributions

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10.1002/9780470515235.ch1

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title = "Modern Theories of Continuum Models",

keywords = "Born-Oppenheimer approximation, Electronic ground state, Physico-chemical measurements, Potential energy surface (PES), Quantum mechanical (QM) description, Single solute molecule, Solvation energy, Solvent polarization, Solvent-solvent interactions, Thermodynamically averaged solvent distributions",

author = "Jacopo Tomasi and Eric Canc{\`e}s and Pomelli, \{Christian Silvio\} and Marco Caricato and Giovanni Scalmani and Frisch, \{Michael J.\} and Roberto Cammi and Basilevsky, \{Michail V.\} and Chuev, \{Gennady N.\} and Benedetta Mennucci",

year = "2007",

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doi = "10.1002/9780470515235.ch1",

language = "English",

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booktitle = "Continuum Solvation Models in Chemical Physics",

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TY - CHAP

T1 - Modern Theories of Continuum Models

AU - Tomasi, Jacopo

AU - Cancès, Eric

AU - Pomelli, Christian Silvio

AU - Caricato, Marco

AU - Scalmani, Giovanni

AU - Frisch, Michael J.

AU - Cammi, Roberto

AU - Basilevsky, Michail V.

AU - Chuev, Gennady N.

AU - Mennucci, Benedetta

PY - 2007/12/7

Y1 - 2007/12/7

KW - Born-Oppenheimer approximation

KW - Electronic ground state

KW - Physico-chemical measurements

KW - Potential energy surface (PES)

KW - Quantum mechanical (QM) description

KW - Single solute molecule

KW - Solvation energy

KW - Solvent polarization

KW - Solvent-solvent interactions

KW - Thermodynamically averaged solvent distributions

UR - https://www.scopus.com/pages/publications/77953577706

U2 - 10.1002/9780470515235.ch1

DO - 10.1002/9780470515235.ch1

M3 - Chapter

AN - SCOPUS:77953577706

SN - 9780470029381

SP - 1

EP - 123

BT - Continuum Solvation Models in Chemical Physics

PB - John Wiley & Sons, Ltd

ER -

Modern Theories of Continuum Models

Keywords

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