Olivier Quinet

  • 530 Citations
  • 14 h-Index
1985 …2017
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Research Output 1998 2014

  • 530 Citations
  • 14 h-Index
  • 26 Article
  • 3 Chapter
  • 1 Conference contribution
2009

Methods for simulating and interpreting vibrational spectra of molecules

Champagne, B., Guthmuller, J., Liegeois, V. & Quinet, O., 1 Jan 2009, COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Advances in Computational Science. American institute of physics, Vol. 1108. p. 30-42 13 p. (AIP Conference Proceedings; vol. 1108).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Vibrational spectra
Raman scattering
Quantum chemistry
Molecules
Raman spectroscopy
2007

First-order ZPVA correction to first hyperpolarizabilities of mono-substituted benzene molecules

Quinet, O., Champagne, B. & Kirtman, B., 2007, Atoms, molecules and clusters in electric fields: theoretical approaches to the calculation of electric polarizability. Maroulis, G. (ed.). London: Imperial college press, Vol. 1. p. 33-45 13 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

2006
5 Downloads (Pure)

Analysis of the VROA signals of helical heptasilanes using an atomistic approach

Liégeois, V., Quinet, O., Champagne, B., Haesler, J., Zuber, G. & Hug, W., 24 Nov 2006, In : Vibrational Spectroscopy. 42, 2, p. 309-316 8 p.

Research output: Contribution to journalArticle

Atoms
Decomposition
Compensation and Redress
acetonitrile
Raman scattering
Raman spectra
Derivatives
Relaxation processes
optical activity
Polyethylene
Conformations
polyethylenes
Polymers

Theoretical determination of the vibrational raman optical activity signatures of helical polypropylene chains

Lamparska, E., Liégeois, V., Quinet, O. & Champagne, B., 13 Nov 2006, In : ChemPhysChem. 7, 11, p. 2366-2376 11 p.

Research output: Contribution to journalArticle

Polypropylenes
optical activity
polypropylene
signatures
electric dipoles

Time-dependent density functional theory simulation of hyper-raman spectra

Quinet, O., Champagne, B. & Van Gisbergen, S. J. A., 5 Mar 2006, In : International Journal of Quantum Chemistry. 106, 3, p. 599-608 10 p.

Research output: Contribution to journalArticle

Electron correlations
Density functional theory
Raman scattering
Raman spectra
density functional theory
2005

Polarizability and second hyperpolarizability of open-shell π-conjugated compounds from spin projection method calculations

Champagne, B., Botek, E., Quinet, O., Nakano, M., Kishi, R., Nitta, T. & Yamaguchi, K., 27 May 2005, In : Chemical Physics Letters. 407, 4-6, p. 372-378 7 p.

Research output: Contribution to journalArticle

Polyacetylenes
polyacetylene
Bearings (structural)
projection
Solitons

Rototranslational sum rules for static and dynamic polarisabilities

Quinet, O., Champagne, B. & Lazzeretti, P., 15 Dec 2005, In : Computer physics communications. 173, 3, p. 131-139 9 p.

Research output: Contribution to journalArticle

Vibrational spectroscopy
Invariance
sum rules
Scattering
Derivatives
Cartesian coordinates
quadrupoles
dipoles
Derivatives
evaluation
Electron correlations
optical activity
Density functional theory
Tensors
Derivatives
2004
Ethane
ethane
Raman scattering
ethers
ethylene

Polarization effects on the hyper-Raman spectra of carbon tetrachloride: A joint experimental-theoretical study

Quinet, O., Champagne, B. & Rodriguez, V., 8 Sep 2004, In : The journal of chemical physics. 121, 10, p. 4705-4710 6 p.

Research output: Contribution to journalArticle

Carbon Tetrachloride
carbon tetrachloride
Raman scattering
Polarization
Raman spectra
oligomers
silicon dioxide
nitrogen
coefficients
Chain length

Zero-point vibrational averaging correction for second harmonic generation in para-nitroaniline

Quinet, O., Champagne, B. & Kirtman, B., 29 Aug 2003, In : Journal of Molecular Structure: THEOCHEM. 633, 2-3, p. 199-207 9 p.

Research output: Contribution to journalArticle

Interchanges
Harmonic generation
harmonic generations
approximation
4-nitroaniline
2002
Polyenes
Raman scattering
Raman spectra
Derivatives
Activity coefficients
2001
Polyenes
Interchanges
Second derivative
Chain length
Electronics
Infrared radiation
Molecules
estimates
4-nitroaniline
molecules

Time-dependent Hartree-Fock schemes for analytical evaluation of the Raman intensities

Quinet, O. & Champagne, B., 8 Oct 2001, In : The journal of chemical physics. 115, 14, p. 6293-6299 7 p.

Research output: Contribution to journalArticle

Cartesian coordinates
Derivatives
evaluation
electric fields
Electric fields

Vibrational first and second hyperpolarizability of H-CN

Quinet, O. & Champagne, B., 2001, Nonlinear optics for the information society. Driessen, A. (ed.). p. 133-137 5 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Vibrational first hyperpolarizability of methane and its fluorinated analogs

Quinet, O. & Champagne, B., 2001, New trends in quantum systems in chemistry and physics. 1: Basic problems and model systems. Maruani, J. (ed.). Dordrecht: Kluwer Academic Publishers, p. 375-392 18 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Fluorine
Methane
Harmonic generation
2000
Acetylene
Ethane
acetylene
ethane
Refractive index
electronics
four-wave mixing
harmonic generations
dyes
electric fields
1998
Molecules
Agglomeration
merocyanine

Vibrational second hyperpolarizability of CH4-nFn molecules with n=0-4

Quinet, O. & Champagne, B., 1 Dec 1998, In : The journal of chemical physics. 109, 24, p. 10594-10602 9 p.

Research output: Contribution to journalArticle

Harmonic generation
harmonic generations
Electric fields
Electron correlations
Molecules