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Jean-Marie ANDRE

  • 4513 Citations
  • 36 h-Index
1968 …2016

Research output per year

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Research Output

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2012

Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium-enamine conversion in a proline-catalyzed reaction

Hubin, P. O., Jacquemin, D., Leherte, L., André, J. M., van Duin, A. C. T. & Vercauteren, D. P., 9 Aug 2012, In : Theoretical Chemistry Accounts. 131, 8, p. 1-11 11 p.

Research output: Contribution to journalArticle

2011

Absorption Spectra of Azobenzenes Simulated with Time-Dependent Density Functional Theory

Jacquemin, D., Preat, J., Perpete, E., Vercauteren, D. P., André, J-M., Ciofini, I. & Adamo, C., 2011, In : International Journal of Quantum Chemistry. 111, p. 4224-4240 17 p.

Research output: Contribution to journalArticle

2009

An Ab initio simulation of the UV/visible spectra of N-benzylideneaniline dyes

Jacquemin, D., Adèle, L., Perpete, E. & André, J-M., 2009, In : International Journal of Quantum Chemistry. 109, 15, p. 3506-3515

Research output: Contribution to journalArticle

Confinement in Molecular Sieves: The Pioneering Physical Concepts

Lucas, A., Derycke, I., Lambin, P., Vigneron, J-P., Leherte, L., Elanany, M., Andre, J-M., Larin, A. & Vercauteren, D., 15 Jun 2009, In : Journal of Molecular Catalysis A: Chemical. 305, 1-2, p. 16-23 8 p.

Research output: Contribution to journalArticle

2008

Assessment of the Accuracy of TD-DFT Absorption Spectra: Substituted Benzenes

André, J-M., Jacquemin, D., Perpète, E., Vercauteren, D. & Wathelet, V., 2008, In : Coll. Czech. Chem. Comm.. 73, p. 898-908 11 p.

Research output: Contribution to journalArticle

2007

A generalized Romberg differentiation procedure for calculation of hyperpolarizabilities

Medved, M., Stachova, M., Jacquemin, D., André, J-M. & Perpète, E., 2007, In : Journal of molecular structure: Teochem. 847, p. 39-46 8 p.

Research output: Contribution to journalArticle

Hemi-indigo photochroms: a theoretical investigation

Laurent, A., André, J-M., Perpète, E. & Jacquemin, D., 2007, In : Chemical Physics Letters. 436, 1-3, p. 84-88 5 p.

Research output: Contribution to journalArticle

On the Geometries and UV/Vis Spectra of Substituted Trans-Azobenzenes

Briquet, L., Vercauteren, D., André, J-M., Perpète, E. & Jacquemin, D., 2007, In : Chem. Phys. Lett.. 435, p. 257-262 6 p.

Research output: Contribution to journalArticle

Photochromic properties of dithienylazoles and other conjugated diarylethenes

Laurent, A., André, J-M., Perpète, E. & Jacquemin, D., 2007, In : Journal of Photochemistry and Photobiology A: Chemistry. 192, p. 211-219 9 p.

Research output: Contribution to journalArticle

Towards the understanding of the chromatic behaviour of triphenylmethane derivatives

Preat, J., Jacquemin, D., Wathelet, V., André, J-M. & Perpète, E., 2007, In : Chemical physics. 335, p. 177-186 10 p.

Research output: Contribution to journalArticle

2006

An ab initio study of the absorption spectra of indirubin, isoindigo, and related derivatives

Perpète, E., Preat, J., André, J-M. & Jacquemin, D., 2006, In : Journal of physical chemistry A. 110, p. 5629-5635 7 p.

Research output: Contribution to journalArticle

Assessment of PBEO for evaluating the absorption spectra of carbonyl molecules

Wathelet, V., Preat, J., Bouhy, M., Fontaine, M. C., Perpète, E., André, J-M. & Jacquemin, D., 2006, In : International Journal of Quantum Chemistry. 106, p. 1853-1859 7 p.

Research output: Contribution to journalArticle

Assessment of several hybrid DFT functionals for the evaluation of bond lenght alternation of increasingly long oligomers

Jacquemin, D., Femenias, A., Chermette, H., Ciofini, I., Adamo, C., André, J-M. & Perpète, E., 2006, In : Journal of physical chemistry A. 110, p. 5952-5959 8 p.

Research output: Contribution to journalArticle

TD-DFT investigation of the UV spectra of pyranone derivatives

Preat, J., Jacquemin, D., Wathelet, V., André, J-M. & Perpète, E., 2006, In : Journal of physical chemistry A. 110, p. 8144-8150 7 p.

Research output: Contribution to journalArticle

2005

Mixed electric-magnetic second-order nonlinear optical response of helicenes

Botek, E., André, J-M., Champagne, B., Verbiest, T. & Persoons, A., 15 Jun 2005, In : The journal of chemical physics. 122, 23, 234713.

Research output: Contribution to journalArticle

Nonlinear optical properties of spincoated films of chiral polythiophenes

Verbiest, T., Sioncke, S., Koeckelberghs, G., Samyn, C., Persoons, A., Botek, E., André, J-M. & Champagne, B., 7 Mar 2005, In : Chemical Physics Letters. 404, 1-3, p. 112-115 4 p.

Research output: Contribution to journalArticle

Second-order Møller-Plesset evaluation of the bond length alternation of several series of linear oligomers

Jacquemin, D., Femenias, A., Chermette, H., André, J-M. & Perpète, E., 2005, In : Journal of Physical Chemistry. A 109, p. 5734-5741 8 p.

Research output: Contribution to journalArticle

Substitution effects on the visible spectra of 1,4-diNHPh-9,10-anthraquinones

Jacquemin, D., Preat, J., Wathelet, V., André, J-M. & Perpète, E., 2005, In : Chemical Physics Letters. 405, 4-6, p. 429-433 5 p.

Research output: Contribution to journalArticle

2004

Ab initio investigation of the structures and properties of polyaminoborane

Jacquemin, D., Perpète, E., Wathelet, V. & André, J-M., 2004, In : Journal of physical chemistry A. 108, p. 9616-9624 9 p.

Research output: Contribution to journalArticle

Mixed Electric-Magnetic Second Order Response of Helicenes

Botek, E., Andre, J-M., Champagne, B., Verbiest, T. & Persoons, A., 2004, In : Lecture series on computer and comptational sciences. 1, p. 769-770 2 p.

Research output: Contribution to journalArticle

Second-order nonlinear optical coefficient of polyphosphazene-based materials: A theoretical study

Jacquemin, D., Quinet, O., Champagne, B. & André, J-M., 15 May 2004, In : The journal of chemical physics. 120, 19, p. 9401-9409 9 p.

Research output: Contribution to journalArticle

Theoretical design of substituted tetrathia-[7]-helicenes with large second-order nonlinear optical responses

Champagne, B., André, J-M., Botek, E., Licandro, E., Maiorana, S., Bossi, A., Clays, K. & Persoons, A., 20 Sep 2004, In : ChemPhysChem. 5, 9, p. 1438-1442 5 p.

Research output: Contribution to journalArticle

Theoretical investigation of substituted anthraquinone dyes

Jacquemin, D., Preat, J., Charlot, M., Wathelet, V., André, J-M. & Perpète, E., 2004, In : Journal of chemical physics. 121, 4, p. 1736-1743 8 p.

Research output: Contribution to journalArticle

Theoretical study of the longitudinal first hyperpolarizability of polysilaacetylene

Jacquemin, D., Perpète, E. & André, J-M., 2004, In : Journal of chemical physics. 120, 21, p. 10317-10327 11 p.

Research output: Contribution to journalArticle

Theoretical study of the second-order nonlinear optical properties of [N]helicenes and [N]phenylenes

Botek, E., Champagne, B., Turki, M. & Andre, J-M., 22 Jan 2004, In : The journal of chemical physics. 120, 4, p. 2042-2048 7 p.

Research output: Contribution to journalArticle

2003

Analytic ab initio determination of the IR intensities in stereoregular polymers

Jacquemin, D., André, J-M. & Champagne, B., 1 Mar 2003, In : The journal of chemical physics. 118, 9, p. 3956-3965 10 p.

Research output: Contribution to journalArticle

Chimie in silico, passé, présent et futur

André, J-M., 2003, In : Chimie nouvelle. 21, 82, p. 66-72 7 p.

Research output: Contribution to journalArticle

Copolymerization effects upon the second-order NLO responses of polyacetylene/polymethineimine

Jacquemin, D., Champagne, B. & André, J-M., 3 Jun 2003, In : Macromolecules. 36, 11, p. 3980-3985 6 p.

Research output: Contribution to journalArticle

The role of vibronic interactions on intramolecular and intermolecular electron transfer in π-conjugated oligomers

Coropceanu, V., André, J-M., Malagoli, M. & Brédas, J-L., 2003, In : Theoretical Chemistry Accounts: Theory, Computation, and Modeling. 110, p. 59-69 11 p.

Research output: Contribution to journalArticle

2002

Ab Initio Investigations of Polymethineimine Chains for Nonlinear Optics

Jacquemin, D., Perpète, E., Champagne, B., André, J-M. & Kirtman, B., 2002, In : Recent Res. Devel. Phys. Chem.. 6, p. 145-165 21 p.

Research output: Contribution to journalArticle

Charge-transfer transitions in triarylamine mixed-valence systems: a joint density functional theory and vibronic coupling study

Coropceanu, V., Malagoli, M., André, J-M. & Bredas, J-L., 2002, In : Journal of the American Chemical Society. 124, p. 10519-10530 12 p.

Research output: Contribution to journalArticle

Integral algorithm and density matrix integration scheme for ab initio band structure calculations on polymeric systems

Jacquemin, D., Champagne, B., André, J-M., Deumens, E. & Öhrn, Y., 30 Nov 2002, In : Journal of Computational Chemistry. 23, 15, p. 1430-1444 15 p.

Research output: Contribution to journalArticle

2001

Analysis of the sign reversal of the second-order molecular polarizability in polymethineimine chains

Jacquemin, D., Beljonne, D., Champagne, B., Geskin, V., Brédas, J. L. & André, J-M., 8 Oct 2001, In : The journal of chemical physics. 115, 14, p. 6766-6774 9 p.

Research output: Contribution to journalArticle

Intervalence Transition in Triarylamine Mixed-valence Systems: A Time Dependent Density Functional Theory Study

Coropceanu, V., Malagoli, M., André, J-M. & Brédas, JL., 2001, In : Journal of chemical physics. 115, p. 10409-10416 8 p.

Research output: Contribution to journalArticle

Möbius strip versus linear and cyclic polyacenes: A Hückel and semiempirical investigation

Guillaume, M., Champagne, B., Perpète, E. A. & André, J-M., 1 May 2001, In : Theoretical Chemistry Accounts. 105, 6, p. 431-436 6 p.

Research output: Contribution to journalArticle

2000

Une introduction à la théorie du chaos déterministe appliquée à la chimie

André, J-M., 2000, In : Chimie nouvelle. 18, 71, p. 3151-3160 10 p.

Research output: Contribution to journalArticle

1999

Ab initio polarizability and first hyperpolarizability of a push-pull polyene in the sum-over-states CI singles scheme

Champagne, B., Mosley, D. H., André, J-M., Spassova, M., Monev, V. & Kanev, I., 1999, In : Comptes rendus de l'Académie bulgare des sciences. 50, 6, p. 79-82 4 p.

Research output: Contribution to journalArticle

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

Le chaos déterministe joue-t-il un rôle en chimie ?

André, J-M., 1999, In : Bulletin de la Classe des Sciences. X, 7-12, p. 463-478 16 p.

Research output: Contribution to journalArticle

Long-range effects in optimizing the geometry of stereoregular polymers. I. Formalism

Jacquemin, D., André, J-M. & Champagne, B., 22 Sep 1999, In : The journal of chemical physics. 111, 12, p. 5306-5323 18 p.

Research output: Contribution to journalArticle