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  Ab initio investigation on the second-order nonlinear optical responses in keto-enol equilibria of salicylideneanilines

  Guillaume, M., Champagne, B., Markova, N., Enchev, V. & Castet, F., 4 Oct 2007, In : Journal of physical chemistry A. 111, 39, p. 9914-9923 10 p.

  Research output: Contribution to journal › Article › peer-review

  • Rayleigh scattering
  • Harmonic generation
  • Imines
  • Optical properties
  • Amines

• 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 journal › Article › peer-review

• Ab initio longitudinal polarizabilities of conjugated stereoregular polymers with a carbon backbone

  Champagne, B. & Öhrn, Y., 28 Jan 1994, In : Chemical Physics Letters. 217, 5-6, p. 551-558 8 p.

  Research output: Contribution to journal › Article › peer-review

  • Conjugated polymers
  • Carbon
  • Polyynes
  • carbon
  • polydiacetylene

• Ab initio methods for simulating and interpreting hyper-Raman spectra of molecules

  Champagne, B., 2006, In : Lecture series on computer and computational sciences. 6, p. 317-323 7 p.

  Research output: Contribution to journal › Article

• 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 journal › Article

• AB-INITIO prediction of extremely large 1st hyperpolarizability of polyphosphaacetylene and polyphosphasilyne

  Zhang, DY., Pouchan, C., Perpète, E. & Jacquemin, D., 2005, In : Chemical Physics Letters. 416, 4-6, p. 277-281 5 p.

  Research output: Contribution to journal › Article

• Ab initio prediction of extremely large first hyperpolarizability of polyphosphaacetylene and polyphosphasilyne

  Zhang, D. Y., Pouchan, C., Perpète, E. & Jacquemin, D., 2005, In : Chemical Physics Letters. 416, 4-6, p. 277-281 5 p.

  Research output: Contribution to journal › Article

• Ab Initio QM Calculation of the Electric Field Convergence Versus Atomic Basis Sets in Periodic Models of Proton-Substituted Zeolites

  Larin, A. V., Trubnikov, D. N. & Vercauteren, D. P., 1 Dec 2007, In : Internat. J. Quantum Chem.. 107, 15, p. 3137-3150 14 p.

  Research output: Contribution to journal › Article › peer-review

  • Zeolites
  • chabazite
  • zeolites
  • Electrostatics
  • Protons

• 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 journal › Article › peer-review

  • Quantum theory
  • 3-hydroxybutanal
  • Proline
  • Stereoselectivity
  • quantum mechanics

• Ab initio quantum chemical calculations of polarizabilities of polymeric systems

  Champagne, B., Fripiat, J. & André, J-M., 1994, In : Nonlinear optics. 6, p. 229-261 33 p.

  Research output: Contribution to journal › Article

• Ab initio SCF-LCAO-MO study of conformational stability and internal rotation in n-butane, ethyl methyl ether and ethyl methyl sulphide

  Bredas, J-L., Dufey, M., Fripiat, J. & André, J-M., 1983, In : Molecular physics. 49, 6, p. 1451-1460 10 p.

  Research output: Contribution to journal › Article

• Ab initio simulation of the sum-frequency generation response of optically active liquids in the presence of a dc electric field - Determination of the absolute molecular configuration

  Champagne, B. & Quinet, O., 16 Aug 2014, In : SCIENCE CHINA Chemistry. 57, 10, p. 1405-1408 4 p.

  Research output: Contribution to journal › Article › peer-review

  • Electric fields
  • Liquids

• Ab initio static polarizability and first hyperpolarizability of model polymethineimine chains. II. Effects of conformation and of substitution by donor/acceptor end groups

  Jacquemin, D., Champagne, B. & Kirtman, B., 1 Oct 1997, In : The journal of chemical physics. 107, 13, p. 5076-5087 12 p.

  Research output: Contribution to journal › Article › peer-review

  • Oligomers
  • Conformations
  • oligomers
  • Substitution reactions
  • Polymers

• Ab initio studies of the static electronic first hyperpolarizability of polysilanenitrile

  Zhang, D., Pouchan, C., Jacquemin, D. & Perpète, E., 2005, In : Chemical Physics Letters. 408, 4-6, p. 226-231 6 p.

  Research output: Contribution to journal › Article

• Ab initio studies of the λ_max of naphthoquinones dyes

  Perpète, E., Lambert, C., Wathelet, V., Preat, J. & Jacquemin, D., 2007, In : Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy. 68, p. 1326-1333 8 p.

  Research output: Contribution to journal › Article

• Ab initio study of the influence of aggregation on the infrared spectrum of acetonitrile

  MATHIEU, N. V., DEFRANCESCHI, N. V. & Delhalle, J., 1993, In : Internat. J. Quantum. Chem. Symp.. 45, p. 735-746 12 p.

  Research output: Contribution to journal › Article

• Ab initio tools for the accurate prediction of the visible spectra of anthraquinones

  Jacquemin, D., Wathelet, V., Preat, J. & Perpète, E., 2007, In : Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy. 67, 2, p. 334-341 8 p.

  Research output: Contribution to journal › Article

• A biomimetic heteroditopic receptor for zwitterions in protic media

  Cornut, D., Moerkerke, S., Wouters, J., Bruylants, G. & Jabin, I., 2015, In : Chemistry - An Asian Journal. 10, 2, p. 440-446 7 p.

  Research output: Contribution to journal › Article › peer-review

  • Betaine
  • Biomimetics
  • calix(6)arene
  • Liquids
  • Anserine

• A bio-process inspired synthesis of vaterite (CaCO<inf>3</inf>), directed by a rationally designed multifunctional protein, ChiCaSifi

  Wang, X. L., Xie, H., Su, B. L., Cheng, Y. B., Xie, J. J., Ping, H., Wang, M. H., Zhang, J. Y., Zhang, F. & Fu, Z. Y., 7 Aug 2015, In : Journal of Materials Chemistry C. 3, 29, p. 5951-5956 6 p.

  Research output: Contribution to journal › Article › peer-review

  • Chitin
  • Calcium Carbonate
  • Proteins
  • Carrier Proteins
  • Synthetic Chemistry Techniques

• Abnormalities in cerebellum and brainstem in homozygous lurcher mice

  Résibois, A. & Goffinet, A., 1998, In : Neuroscience. 80, p. 175-190 16 p.

  Research output: Contribution to journal › Article

• Abnormal neural filtering of irrelevant visual information in depression

  Desseilles, M., Balteau, E., Sterpenich, V., Dang-Vu, T. T., Darsaud, A., Vandewalle, G., Albouy, G., Salmon, E., Peters, F., Schmidt, C., Schabus, M., Gais, S., Degueldre, C., Phillips, C., Luxen, A., Ansseau, M., Maquet, P. & Schwartz, S., 4 Feb 2009, In : The Journal of neuroscience : the official journal of the Society for Neuroscience. 29, 5, p. 1395-403 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Major Depressive Disorder
  • Depression
  • Visual Cortex
  • Magnetic Resonance Imaging
  • Cognitive Dysfunction

• Aborder en classe de français le rôle de l'image de soi dans l'argumentation

  Vrydaghs, D., Jan 2013, In : Échanges. 25, p. 19-24 6 p.

  Research output: Contribution to journal › Article

• Aborder Hunger Games en classe de français? L'entrée du romanesque

  Vrydaghs, D., Sep 2014, In : Échanges. 28, p. 37-45 9 p.

  Research output: Contribution to journal › Article

• Aborder le post-exotisme d'Antoine Volodine en classe de français

  Vrydaghs, D., 2016, In : Échanges. 31, p. 2-13 12 p.

  Research output: Contribution to journal › Article

• Aborder le romanesque en classe de français

  Vrydaghs, D., 2011, In : Enjeux. 82, p. 65-91 27 p.

  Research output: Contribution to journal › Article › peer-review

• About the mechanism of sterol biosynthesis

  Krief, A., Schauder, J-R., Guittet, E., Herve Du Penhoat, C. & Lallemand, J-Y., 1 Jan 1987, In : Journal of the American Chemical Society. 109, 25, p. 7910-7911 2 p.

  Research output: Contribution to journal › Article › peer-review

• About the mechanism of the rearrangement of β-hydroxyalkylselenides to ketones

  Krief, A., Laboureur, J. L., Evrard, G., Norberg, B. & Guittet, E., 1 Jan 1989, In : Tetrahedron Letters. 30, 5, p. 575-576 2 p.

  Research output: Contribution to journal › Article › peer-review

  • Stereochemistry
  • Ketones

• About the relations between polarizability and Hartree-Fock instabilities. Part 1. The hydrogen molecule

  Champagne, B., Deguelle, V. & André, J-M., 20 Feb 1995, In : Journal of Molecular Structure: THEOCHEM. 332, 1-2, p. 93-104 12 p.

  Research output: Contribution to journal › Article › peer-review

  • Electron correlations
  • Hydrogen
  • configuration interaction
  • electric dipoles
  • Molecules

• A bovine 'Ia-like' antigen detected by a xenogeneic monoclonal antibody

  Letesson, J-J., Coppe, P., Lostrie-Trussart, N. & Depelchin, A., 1983, In : Animal blood groups and biochemical genetics. 14, 4, p. 239-50 12 p.

  Research output: Contribution to journal › Article › peer-review

  • Heterophile Antibodies
  • Histocompatibility Antigens Class II
  • monoclonal antibodies
  • Cattle
  • antigens

• A bracketing technique to ensure desirable convergence in univariate minimization.

  Mifflin, R. & Strodiot, J-J., 1989, In : Mathematical Programming. 43, p. 117-130 14 p.

  Research output: Contribution to journal › Article

• A bricolage perspective on service innovation

  Witell, L., Gebauer, H., Jaakkola, E., Hammedi, W., Patricio, L. & Perks, H., 1 Oct 2017, In : Journal of Business Research. 79, p. 290-298 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Bricolage
  • Service Innovation
  • New Service Development
  • Resources
  • Development Process

• A bridge between secondary and secular resonances inside the Hecuba gap

  Henrard, J., Watanabe, N. & Moons, M., 1995, In : Icarus. 115, p. 336-346 11 p.

  Research output: Contribution to journal › Article

• A brief history of filter methods

  Fletcher, R., Leyffer, S. & Toint, P., 2007, In : SIAG/ OPT Views-and-News. 18, 1, p. 2-12 11 p.

  Research output: Contribution to journal › Article › peer-review

• A Brucella abortus cstA mutant is defective for association with endoplasmic reticulum exit sites and displays altered trafficking in HeLa cells

  de Barsy, M., Mirabella, A., Letesson, J-J. & De Bolle, X., 2012, In : Microbiology. 158, Pt 10, p. 2610-8 9 p.

  Research output: Contribution to journal › Article › peer-review

  • Brucella abortus
  • Brucella
  • HeLa Cells
  • Endoplasmic Reticulum
  • Calnexin

• Absence of detectable delayed elastic recoil 24 hours after percutaneous transluminal coronary angioplasty

  Hanet, C., Michel, X., Schroeder, E. & Wijns, W., 15 Jun 1993, In : The American journal of cardiology. 71, 16, p. 1433-1436 4 p.

  Research output: Contribution to journal › Article › peer-review

  • Coronary Balloon Angioplasty
  • Coronary Stenosis
  • Economic Inflation
  • Nitrates
  • Atherosclerotic Plaques

• Absence of Estradiol production in FSH stimulated prepubertal calves.

  de roover, N. V., leonard, N. V., feugang, N. V., genicot, N. V., delahaut, N. V., Bister, J-L. & dessy, N. V., 2002, In : Biotechnol. Agron. Soc. Environ.. 6, 1, p. 5-7 3 p.

  Research output: Contribution to journal › Article

• Absolute absorption intensities in the fundamental v₂ and v₅ bands of ¹²CH₃F

  Lepère, M., Blanquet, G., Walrand, J. & Tarrago, G., 1 Jan 1998, In : Journal of molecular spectroscopy. 189, 2, p. 137-143 7 p.

  Research output: Contribution to journal › Article › peer-review

  • fluoromethane
  • Dipole moment
  • Semiconductor lasers
  • Spectrometers
  • Derivatives

• Absolute intensity measurements in the v₃ band of carbon disulphide

  Blanquet, G., Walrand, J., Weber, C. & Lepère, M., 20 Jun 2003, In : Molecular physics. 101, 12, p. 1911-1917 7 p.

  Research output: Contribution to journal › Article › peer-review

  • Laser spectroscopy
  • Carbon Disulfide
  • carbon disulfide
  • Semiconductor lasers
  • Semiconductor Lasers

• Absolute line intensities and self-broadening coefficients in the v₁ band of ³⁵Cl¹²C¹⁴N

  Blanquet, G., Walrand, J., Bouanich, J-P. & Lepère, M., 1 Jan 2001, In : Journal of molecular spectroscopy. 206, 2, p. 143-149 7 p.

  Research output: Contribution to journal › Article › peer-review

  • cyanogen chloride
  • Coulomb interactions
  • Semiconductor lasers
  • Spectrometers
  • coefficients

• Absolute line intensities and self-broadening coefficients in the ν₃-ν₁ band of carbon dioxide

  Delière, Q., Fissiaux, L. & Lepère, M., 1 Feb 2012, In : Journal of molecular spectroscopy. 272, 1, p. 36-42 7 p.

  Research output: Contribution to journal › Article › peer-review

  • Carbon Dioxide
  • carbon dioxide
  • Carbon Monoxide
  • coefficients
  • laser spectrometers

• Absolute line intensities determination in the ν₇ band of C₂H₄

  Walrand, J., Lengelé, M., Blanquet, G. & Lepère, M., 1 Feb 2003, In : Spectrochimica acta Part A-Molecular and Biomolecular Spectroscopy. 59, 3, p. 421-426 6 p.

  Research output: Contribution to journal › Article › peer-review

  • Semiconductor lasers
  • Spectrometers

• Absolute Line Intensities in the 2v₃ Band of O¹²CS

  Bermejo, D., Domenech, J. L., Santos, J., Bouanich, J-P. & Blanquet, G., 1 Sep 1997, In : Journal of molecular spectroscopy. 185, 1, p. 26-30 5 p.

  Research output: Contribution to journal › Article › peer-review

  • Spectrometers
  • Lasers
  • laser spectrometers
  • moments
  • high resolution

• Absolute Line Intensities in the 2ν₂ Band of Cyanogen Chloride at 12.8 μm

  Lepère, M., Blanquet, G. & Walrand, J., 1 May 2000, In : Journal of molecular spectroscopy. 201, 1, p. 151-155 5 p.

  Research output: Contribution to journal › Article › peer-review

  • cyanogen chloride
  • cyanogen
  • Semiconductor lasers
  • chlorides
  • semiconductor lasers

• Absolute Line Intensities in the 6.7 μm ν₆ Fundamental Band of CH₃NC

  Blanquet, G. & Walrand, J., 1 Aug 1997, In : Journal of molecular spectroscopy. 184, 2, p. 464-465 2 p.

  Research output: Contribution to journal › Article › peer-review

• Absolute Line Intensities in the ν₂ Band of ¹²CH₃³⁵Cl at Cl 7.5 μm

  Blanquet, G., Lance, B., Walrand, J. & Bouanich, J. P., 1 Apr 1995, In : Journal of molecular spectroscopy. 170, 2, p. 466-477 12 p.

  Research output: Contribution to journal › Article › peer-review

  • Dipole moment
  • Semiconductor lasers
  • Spectrometers
  • laser spectrometers
  • dipole moments

• Absolute line intensities in the ν₂ band of CH₃Cl at 7.5 μm

  Blanquet, G., Lance, B., Walrand, J. & Bouanich, J-P., 30 Jul 1996, In : Spectrochimica acta Part A-Molecular and Biomolecular Spectroscopy. 52, 8 PART 3, p. 1033-1035 3 p.

  Research output: Contribution to journal › Article › peer-review

  • Semiconductor lasers
  • Spectrometers

• Absolute line intensities in the ν₃ band of ¹²CH₃F at 9.6 μm

  Lepere, M., Blanquet, G. & Walrand, J., 30 Jul 1996, In : Spectrochimica acta Part A-Molecular and Biomolecular Spectroscopy. 52, 8 PART 3, p. 1029-1031 3 p.

  Research output: Contribution to journal › Article › peer-review

  • Semiconductor lasers
  • Spectrometers
  • Infrared radiation

• Absolute line intensities in the ν₃ band of ¹²CH₃F by diode-laser spectroscopy

  Lepère, M., Blanquet, G. & Walrand, J., 1 Jun 1996, In : Journal of molecular spectroscopy. 177, 2, p. 307-310 4 p.

  Research output: Contribution to journal › Article › peer-review

  • Laser spectroscopy
  • laser spectrometers
  • Semiconductor lasers
  • Spectrometers
  • laser spectroscopy

• Absolute Line Intensities of the ν₆ Band of CH₃³⁵Cl at 10 μm

  Blanquet, G., Walrand, J. & Dang-Nhu, M., 1 May 1993, In : Journal of molecular spectroscopy. 159, 1, p. 156-160 5 p.

  Research output: Contribution to journal › Article › peer-review

  • Methyl Chloride
  • Semiconductor lasers
  • Spectrometers
  • methyl chloride
  • laser spectrometers

• Absolute line intensities of the ν₉ band of propyne at 15.5 μm

  Blanquet, G., Walrand, J. & Dang-Nhu, M., 1 Sep 1992, In : Spectrochimica acta Part A-Molecular and Biomolecular Spectroscopy. 48, 9, p. 1231-1233 3 p.

  Research output: Contribution to journal › Article › peer-review

  • Semiconductor lasers
  • Spectrometers