Methods for simulating and interpreting vibrational spectra of molecules

B. Champagne, Julien Guthmuller, V. Liegeois, O. Quinet

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférenceArticle dans les actes d'une conférence/un colloque

Résumé

We review our recent achievements in developing quantum chemistry tools for simulating and interpreting vibrational spectra. These encompass the hyper-Raman scattering technique, the resonance Raman spectroscopy, and the vibrational Raman optical activity spectroscopy. These techniques distinguish from the more usual and widely-spread IR absorption and Raman scattering techniques by their nonlinear (hyper-Raman), resonant (resonance Raman), and optical activity (vibrational Raman optical Activity) characteristics. Applications range from model systems to the investigation of solvent effects and of π-conjugated species.
langue originaleAnglais
titreCOMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING
Sous-titreAdvances in Computational Science
EditeurAmerican institute of physics
Pages30-42
Nombre de pages13
Volume1108
Les DOIs
étatPublié - 1 janv. 2009

Série de publications

NomAIP Conference Proceedings
EditeurAmerican Institute of Physics
Volume1108
ISSN (imprimé)0094-243X

Empreinte digitale

Vibrational spectra
Raman scattering
Quantum chemistry
Molecules
Raman spectroscopy
Spectroscopy

Citer ceci

Champagne, B., Guthmuller, J., Liegeois, V., & Quinet, O. (2009). Methods for simulating and interpreting vibrational spectra of molecules. Dans COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science (Vol 1108, p. 30-42). (AIP Conference Proceedings; Vol 1108). American institute of physics. https://doi.org/10.1063/1.3117139
Champagne, B. ; Guthmuller, Julien ; Liegeois, V. ; Quinet, O. / Methods for simulating and interpreting vibrational spectra of molecules. COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science. Vol 1108 American institute of physics, 2009. p. 30-42 (AIP Conference Proceedings).
@inproceedings{5a97493da1fc4bb5b1af9261f69f71f7,
title = "Methods for simulating and interpreting vibrational spectra of molecules",
abstract = "We review our recent achievements in developing quantum chemistry tools for simulating and interpreting vibrational spectra. These encompass the hyper-Raman scattering technique, the resonance Raman spectroscopy, and the vibrational Raman optical activity spectroscopy. These techniques distinguish from the more usual and widely-spread IR absorption and Raman scattering techniques by their nonlinear (hyper-Raman), resonant (resonance Raman), and optical activity (vibrational Raman optical Activity) characteristics. Applications range from model systems to the investigation of solvent effects and of π-conjugated species.",
author = "B. Champagne and Julien Guthmuller and V. Liegeois and O. Quinet",
note = "Copyright 2009 Elsevier B.V., All rights reserved.",
year = "2009",
month = "1",
day = "1",
doi = "10.1063/1.3117139",
language = "English",
volume = "1108",
series = "AIP Conference Proceedings",
publisher = "American institute of physics",
pages = "30--42",
booktitle = "COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING",
address = "United States",

}

Champagne, B, Guthmuller, J, Liegeois, V & Quinet, O 2009, Methods for simulating and interpreting vibrational spectra of molecules. Dans COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science. VOL. 1108, AIP Conference Proceedings, VOL. 1108, American institute of physics, p. 30-42. https://doi.org/10.1063/1.3117139

Methods for simulating and interpreting vibrational spectra of molecules. / Champagne, B.; Guthmuller, Julien; Liegeois, V.; Quinet, O.

COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science. Vol 1108 American institute of physics, 2009. p. 30-42 (AIP Conference Proceedings; Vol 1108).

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférenceArticle dans les actes d'une conférence/un colloque

TY - GEN

T1 - Methods for simulating and interpreting vibrational spectra of molecules

AU - Champagne, B.

AU - Guthmuller, Julien

AU - Liegeois, V.

AU - Quinet, O.

N1 - Copyright 2009 Elsevier B.V., All rights reserved.

PY - 2009/1/1

Y1 - 2009/1/1

N2 - We review our recent achievements in developing quantum chemistry tools for simulating and interpreting vibrational spectra. These encompass the hyper-Raman scattering technique, the resonance Raman spectroscopy, and the vibrational Raman optical activity spectroscopy. These techniques distinguish from the more usual and widely-spread IR absorption and Raman scattering techniques by their nonlinear (hyper-Raman), resonant (resonance Raman), and optical activity (vibrational Raman optical Activity) characteristics. Applications range from model systems to the investigation of solvent effects and of π-conjugated species.

AB - We review our recent achievements in developing quantum chemistry tools for simulating and interpreting vibrational spectra. These encompass the hyper-Raman scattering technique, the resonance Raman spectroscopy, and the vibrational Raman optical activity spectroscopy. These techniques distinguish from the more usual and widely-spread IR absorption and Raman scattering techniques by their nonlinear (hyper-Raman), resonant (resonance Raman), and optical activity (vibrational Raman optical Activity) characteristics. Applications range from model systems to the investigation of solvent effects and of π-conjugated species.

UR - http://www.scopus.com/inward/record.url?scp=65549108895&partnerID=8YFLogxK

U2 - 10.1063/1.3117139

DO - 10.1063/1.3117139

M3 - Conference contribution

AN - SCOPUS:65549108895

VL - 1108

T3 - AIP Conference Proceedings

SP - 30

EP - 42

BT - COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING

PB - American institute of physics

ER -

Champagne B, Guthmuller J, Liegeois V, Quinet O. Methods for simulating and interpreting vibrational spectra of molecules. Dans COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science. Vol 1108. American institute of physics. 2009. p. 30-42. (AIP Conference Proceedings). https://doi.org/10.1063/1.3117139