Find Research Outputs

Search in all content

Filters for Research Output

Search concepts
Selected filters
2007

Multi-scale simulations for materials and life sciences

Castet, F., Champagne, B., Nakano, M. & Takahashi, H., 1 Dec 2007, AIP Conference Proceedings. 1 ed. Vol. 963. p. 350-378 29 p.

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

2000

Efficient Treatment of the Effect of Vibrations on Electrical, Magnetic, and Spectroscopic Properties

Kirtman, B., Champagne, B. & Luis, J. M., 1 Dec 2000, In : Journal of Computational Chemistry. 21, 16, p. 1572-1588 17 p.

Research output: Contribution to journalArticle

2009

Second-order nonlinear optical properties of fluorescent proteins for second-harmonic imaging

De Meulenaere, E., Asselberghs, I., De Wergifosse, M., Botek, E., Spaepen, S., Champagne, B., Vanderleyden, J. & Clays, K., 28 Oct 2009, In : Journal of Materials Chemistry. 19, 40, p. 7514-7519 6 p.

Research output: Contribution to journalArticle

1999
2016
2007

Relationship between third-order nonlinear optical properties and magnetic interactions in open-shell systems: A new paradigm for nonlinear optics

Nakano, M., Kishi, R., Ohta, S., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Botek, E. & Champagne, B., 20 Jul 2007, In : Physical review letters. 99, 3, 033001.

Research output: Contribution to journalArticle

Electronic excitations and first hyperpolarizability of 2-methyl-4-nitroaniline clusters

Guillaume, M., Botek, E., Champagne, B., Castet, F. & Ducasse, L., 15 Nov 2002, In : International Journal of Quantum Chemistry. 90, 4-5, p. 1378-1387 10 p.

Research output: Contribution to journalArticle

2014

Open-shell character and second hyperpolarizabilities of one-dimensional chromium(II) chains: Size dependence and bond-length alternation effect

Fukui, H., Takamuku, S., Yamada, T., Fukuda, K., Takebayashi, T., Shigeta, Y., Kishi, R., Champagne, B. & Nakano, M., 18 Aug 2014, In : Inorganic Chemistry. 53, 16, p. 8700-8707 8 p.

Research output: Contribution to journalArticle

2012

Simulating and interpreting vibrational spectra of molecules: The resonant Raman spectra of rhodamine 6G

Champagne, B. & Guthmuller, J., 1 Jan 2012, AIP Conference Proceedings. Vol. 1504. p. 928-931 4 p.

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

4 Downloads (Pure)
2001

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

2005

Structure moléculaire, propriétés des matériaux et chimie in silico

Champagne, B., 2005, In : Chimie nouvelle. 23, 88, p. 2-8 7 p.

Research output: Contribution to journalArticle

2018

Second-order nonlinear optical properties of Stenhouse photoswitches: Insights from density functional theory

Tonnelé, C., Champagne, B., Muccioli, L. & Castet, F., 1 Jan 2018, In : Physical Chemistry Chemical Physics. 20, 43, p. 27658-27667 10 p.

Research output: Contribution to journalArticle

1993
2010

Selective detection of the antigenic polar heads of model lipid membranes supported on metals from their vibrational nonlinear optical response

Lis, D., Guthmuller, J., Champagne, B., Humbert, C., Busson, B., Tadjeddine, A., Peremans, A. & Cecchet, F., 1 Apr 2010, In : Chemical Physics Letters. 489, 1-3, p. 12-15 4 p.

Research output: Contribution to journalArticle

1995

Density functional study of the static longitudinal polarizability of model polymeric chains

Mosley, D. H., Champagne, B. & André, JM. M., 1 Jan 1995, In : International Journal of Quantum Chemistry. 56, 29 S, p. 117-130 14 p.

Research output: Contribution to journalArticle

2007

Second hyperpolarizabilities (γ) of 1,3-dipole systems: Diradical character dependence of γ

Nakano, M., Kishi, R., Takebe, A., Nate, M., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 1 Dec 2007, AIP Conference Proceedings. 2 ed. Vol. 963. p. 102-105 4 p.

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

1996
2006

Experimental and theoretical investigation of the Raman and hyper-Raman spectra of acetonitrile and its derivatives

Quinet, O., Champagne, B. & Rodriguez, V., 10 Jul 2006, In : The journal of chemical physics. 124, 24, 244312.

Research output: Contribution to journalArticle

2005

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

2009

Polarizabilities and hyperpolarizabilities

Champagne, B., 2009, Chemical Modelling: Applications and Theory Volume 6. Springborg, M. (ed.). Royal Society of Chemistry (RSC), Vol. 6. p. 17-62 46 p.

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

2006

Theoretical investigation on 1H and 13C NMR chemical shifts of small alkanes and chloroalkanes

D'Antuono, P., Botek, E., Champagne, B., Spassova, M. & Denkova, P., 20 Oct 2006, In : The journal of chemical physics. 125, 14, 144309.

Research output: Contribution to journalArticle

2007

Computing oscillator strengths and related properties

Champagne, B., 1 Dec 2007, AIP Conference Proceedings. 2 ed. Vol. 963. p. 167-170 4 p.

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

1999

Asymmetric unit cell polymers with large first hyperpolarizabilities

Jacquemin, D., Champagne, B. & André, J-M., 1 May 1999, In : Synthetic Metals . 101, 1, p. 490-491 2 p.

Research output: Contribution to journalArticle

1998

An ab initio time-dependent Hartree-Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum model

Champagne, B., Mennucci, B., Cossi, M., Cammi, R. & Tomasi, J., 15 Nov 1998, In : Chemical Physics Letters. 238, 2, p. 153-163 11 p.

Research output: Contribution to journalArticle

2011
2009

Remarkable two-photon absorption in open-shell singlet systems

Nakano, M., Yoneda, K., Kishi, R., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Botek, E. & Champagne, B., 1 Dec 2009, In : The journal of chemical physics. 131, 11, 114316.

Research output: Contribution to journalArticle

1995

Model calculations of the first hyperpolarizability per unit cell of finite and infinite polymethineimine chains

Champagne, B., Jacquemin, D. & André, J-M., 1995, Nonlinear optical properties of organic materials VIII: 11-13 July 1995, San Diego, California. Gustaaf, R. (ed.). Washington: International society for optical engineering, Vol. 2527. p. 71-81 11 p.

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

2014

Linear and nonlinear optical properties of arylvinyldiazine dyes: A theoretical investigation

Castet, F., Pic, A. & Champagne, B., 1 Jan 2014, In : Dyes and pigments. 110, p. 256-260 5 p.

Research output: Contribution to journalArticle

2005

Modeling vibrational spectroscopies

Champagne, B. & Öhrn, Y., 15 Sep 2005, In : International Journal of Quantum Chemistry. 104, 5, p. 587-588 2 p.

Research output: Contribution to journalEditorial

2008

The current and future European regulation of electronic communications: a critical assessment

De Streel, A., 2008, In : Telecommunications Policy. 32, 11, p. 722-734 13 p.

Research output: Contribution to journalArticle

File
84 Downloads (Pure)
2013

The linear noise approximation for reaction-diffusion systems on networks

Asllani, M., Biancalani, T., Fanelli, D. & McKane, A. J., 2013, In : European Physical Journal B. 86, 11, 476.

Research output: Contribution to journalArticle

2015
2014

The theory of pattern formation on directed networks

Asllani, M., Challenger, J. D., Pavone, F. S., Sacconi, L. & Fanelli, D., 31 Jul 2014, In : Nature Communications. 5, 4517.

Research output: Contribution to journalArticle

Open Access
2017

Nerval (Gérard de): Symbolique des fleurs

Brix, M. & Bony, J., 2017, Dictionnaire littéraire des fleurs et des jardins: (XVIIIe et XIXe siècles). Auraix-Jonchière, P., Bernard-Griffiths, S. & Francalanza, E. (eds.). Paris: Honoré Champion, p. 536-541 6 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingEntry for encyclopedia/dictionary

2018

Exploring cosmic origins with CORE: Effects of observer peculiar motion

CORE, 5 Apr 2018, In : Journal of Cosmology and Astroparticle Physics. 2018, 4, 021.

Research output: Contribution to journalArticle

Anaerobic methane oxidation and aerobic methane production in an east African great lake (Lake Kivu)

Roland, F. A. E., Morana, C., Darchambeau, F., Crowe, S. A., Thamdrup, B., Descy, J. P. & Borges, A. V., 1 Dec 2018, In : Journal of Great Lakes Research. 44, 6, p. 1183-1193 11 p.

Research output: Contribution to journalArticle

2007

First and second hyperpolarizabilities of donor-acceptor disubstituted diphenalenyl radical systems

Nakano, M., Ohta, S., Tokushima, K., Kishi, R., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Takahashi, H., 27 Jul 2007, In : Chemical Physics Letters. 443, 1-3, p. 95-101 7 p.

Research output: Contribution to journalArticle

Theoretical investigation of the EPR hyperfine coupling constants in amino derivatives

Rogowska, A., Kuhl, S., Schneider, R., Walcarius, A. & Champagne, B., 15 Feb 2007, In : Physical Chemistry Chemical Physics. 9, 7, p. 828-836 9 p.

Research output: Contribution to journalArticle

2010

Theoretical and experimental investigation of the structural and spectroscopic properties of coumarin 343 fluoroionophores

Botek, E., D'Antuono, P., Jacques, A., Carion, R., Champagne, B., Maton, L., Taziaux, D. & Habib-Jiwan, J. L., 14 Nov 2010, In : Physical Chemistry Chemical Physics. 12, 42, p. 14172-14187 16 p.

Research output: Contribution to journalArticle

2011

(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

Nakano, M., Fukui, H., Minami, T., Yoneda, K., Shigeta, Y., Kishi, R., Champagne, B., Botek, E., Kubo, T., Ohta, K. & Kamada, K., 1 Dec 2011, In : Theoretical Chemistry Accounts. 130, 4-6, p. 711-724 14 p.

Research output: Contribution to journalArticle

2006

Second hyperpolarizabilities (γ) of open-shell singlet one-dimensional systems: Intersite interaction effects on the average diradical character and size dependences of γ

Nakano, M., Takebe, A., Kishi, R., Ohta, S., Nate, M., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E., Takahashi, H., Furukawa, S., Morita, Y. & Nakasuji, K., 11 Dec 2006, In : Chemical Physics Letters. 432, 4-6, p. 473-479 7 p.

Research output: Contribution to journalArticle

2012
2008

Multi-scale approach to the design of ferroelectric liquid crystals for NLO applications

Soldera, A., Perreault, F. & Champagne, B., 1 Jan 2008, AIP Conference Proceedings. Vol. 1046. p. 52-55 4 p.

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

Theoretical and experimental investigation of electric field induced second harmonic generation in tetrathia[7]helicenes

Bossi, A., Licandro, E., Maiorana, S., Rigamonti, C., Righetto, S., Richard Stephenson, G., Spassova, M., Botek, E. & Champagne, B., 29 May 2008, In : Journal of Physical Chemistry C. 112, 21, p. 7900-7907 8 p.

Research output: Contribution to journalArticle