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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 journalArticle

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 journalArticle

Zeolites
zeolites
Protons
Electrostatics
Electric fields

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

Quantum theory
Proline
quantum mechanics
Stereoselectivity
Chirality

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 journalArticle

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 journalArticle

oligomers
Oligomers
Conformations
Polymers
Substitution reactions

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 journalArticle

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 journalArticle

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 journalArticle

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 journalArticle

Betaine
Biomimetics
Liquids
Anserine
Thiourea

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 journalArticle

Chitin
Calcium Carbonate
Proteins
Fibroins
Biological Phenomena

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 journalArticle

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 journalArticle

Major Depressive Disorder
Depression
Magnetic Resonance Imaging
Visual Cortex
Executive Function

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 journalArticle

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 journalArticle

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 journalArticle

Aborder le romanesque en classe de français

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

Research output: Contribution to journalArticle

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 journalArticle

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 journalArticle

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 journalArticle

Electron correlations
electric dipoles
configuration interaction
Hydrogen
dissociation

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 journalArticle

Heterophile Antibodies
Histocompatibility Antigens Class II
Monoclonal Antibodies
Lymphocytes
Staphylococcal Protein A

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 journalArticle

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 journalArticle

Resources
Service innovation
Bricolage
New service development
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 journalArticle

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 journalArticle

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 journalArticle

Brucella abortus
Brucella
HeLa Cells
Endoplasmic Reticulum
Calnexin

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 journalArticle

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 journalArticle

Dipole moment
Semiconductor lasers
Spectrometers
Derivatives
laser spectrometers

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 journalArticle

Carbon Disulfide
carbon disulfide
Laser spectroscopy
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 journalArticle

Coulomb interactions
Semiconductor lasers
Spectrometers
coefficients
cyanogen

Absolute line intensities and self-broadening coefficients in the ν31 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 journalArticle

Carbon Monoxide
Carbon Dioxide
carbon dioxide
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 journalArticle

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 journalArticle

Spectrometers
laser spectrometers
Lasers
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 journalArticle

cyanogen
Semiconductor lasers
semiconductor lasers
chlorides
high resolution

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 journalArticle

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 journalArticle

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 journalArticle

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 journalArticle

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 journalArticle

laser spectrometers
Laser spectroscopy
laser spectroscopy
Semiconductor lasers
Spectrometers

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 journalArticle

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 journalArticle

Semiconductor lasers
Spectrometers

Absolute line intensity measurements of hot bands for carbonyl sulfide at 12 μm

Walrand, J., Lengelé, M. & Blanquet, G., 1 Dec 2004, In : Spectrochimica acta Part A-Molecular and Biomolecular Spectroscopy. 60, 14, p. 3299-3303 5 p.

Research output: Contribution to journalArticle

Laser spectroscopy
Semiconductor lasers
Sulfides

Absorption and emission spectra in gas-phase and solution using TD-DFT: formaldehyde and benzene as case studies

Jacquemin, D., Perpète, E., Scalmani, G., Frisch, M., Ciofini, I. & Adamo, C., 2006, In : Chemical Physics Letters. 42, p. 272-276 5 p.

Research output: Contribution to journalArticle

Absorption and emission spectra of 1,8-naphthalimide fluorophores: A PCM-TD-DFT investigation

Jacquemin, D., Perpete, E., Scalmani, G., Ciofini, I., Peltier, P. & Adamo, C., 2010, In : Chemical physics.

Research output: Contribution to journalArticle

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

Absorption Spectra of Recently Synthesised Organic Dyes: A TD-DFT Study

Jacquemin, D., Preat, J., Perpète, E. A. & Adamo, C., Oct 2010, In : International Journal of Quantum Chemistry. 110, 12, p. 2121-2129 9 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Absorption spectra
Coloring Agents
dyes
absorption spectra

Abundance and biomass of heterotrophic microorganism in lake Tanganyika

Pirlot, S., SERVAIS, P. & Descy, J-P., 2006, In : Freshwater Biology. 51, 5, p. 984-985 2 p.

Research output: Contribution to journalArticle