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Ab Initio Investigation of the Hydration of Deprotonated Amino Acids
Michaux, C., Wouters, J., Perpète, E. A. & Jacquemin, D., 1 Apr 2009, In: Journal of the American Society for Mass Spectrometry. 20, 4, p. 632-638 7 p.Research output: Contribution to journal › Article › peer-review
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Ab initio investigation of the n → π* transitions in thiocarbonyl dyes
Jacquemin, D., Wathelet, V. & Perpète, E., 2006, In: Journal of physical chemistry A. 110, p. 9145-9152 8 p.Research output: Contribution to journal › Article
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Ab initio investigation of the solvent and electron correlation effects on the geometries and first hyperpolarizabilities of push-pull oligomers
Perpète, E. & Jacquemin, D., 2007, In: International Journal of Quantum Chemistry. 107, p. 2066-2074 9 p.Research output: Contribution to journal › Article
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Ab initio investigation of the static polarizability of planar and twisted infinite polythiophene chains
Mosley, D., Fripiat, J., Champagne, B. & André, J-M., 1994, In: International Journal of Quantum Chemistry. 28, p. 451-467 17 p.Research output: Contribution to journal › Article › peer-review
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Ab Initio Investigation of the Stereochemistry Effects on 1H and 13C NMR Chemical Shifts of Poly(vinyl chloride) Oligomers.
D'Antuono, P., Botek, E., Champagne, B., Wieme, J., Reyniers, MF., Marin, G., Adriaensens, P. & Gelan, J., 2005, In: Chemical Physics Letters. 411, 1-3, p. 207-213 7 p.Research output: Contribution to journal › Article
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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 journal › Article
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Ab initio investigation of the sum-frequency hyperpolarizability of small chiral molecules
Champagne, B., Fischer, P. & Buckingham, A. D., 24 Nov 2000, In: Chemical Physics Letters. 331, 1, p. 83-88 6 p.Research output: Contribution to journal › Article › peer-review
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Ab initio investigation of the vibrational hyper-Raman spectra of ethylene, ethane, and dimethyl ether
Quinet, O. & Champagne, B., 1 Mar 2004, In: Theoretical Chemistry Accounts. 111, 2-6, p. 390-394 5 p.Research output: Contribution to journal › Article › peer-review
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Ab initio investigation on the nonlinear optical properties of silicon clusters Sin (n = 3–8)
Champagne, B., Guillaume, M., Bégué, D. & Pouchan, C., 20 Mar 2007, In: Journal of computational methods in sciences and engineering. 7, p. 297-304Research output: Contribution to journal › Article › peer-review
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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
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Ab Initio Investigations of Polymethineimine Chains for Nonlinear Optics
Jacquemin, D., Perpète, E., Champagne, B., André, J-M. & Kirtman, B., 2002, In: Recent Research Developments in Physical Chemistry . 6, p. 145-165 21 p.Research output: Contribution to journal › Article › peer-review
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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
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Ab initio methods for simulating and interpreting hyper-Raman spectra of molecules
Champagne, B., 2006, Trends and Perspectives in Modern Computational Science . Simos, T. & Maroulis, G. (eds.). CRC Press, Vol. 1. p. 317-323 7 p. (Lecture series on computer and computational sciences; vol. 6).Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution
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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
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Ab initio polymer quantum theory
Champagne, B., 2005, Molecular simulation methods for predicting polymer properties. Galiatsatos, V. (ed.). New York: Wiley, p. 1-46 46 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
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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
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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 journal › Article
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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
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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
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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
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Ab initio reduced matrix elements for H216O: application to H2O-N2 line shape calculations via the Modified Complex Robert-Bonamy method
Vispoel, B. & Gamache, R., 2018.Research output: Contribution to conference › Poster › peer-review
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Ab initio reduced matrix elements for H216O for Modified Complex Robert-Bonamy calculations
Vispoel, B. & Gamache, R., 2018.Research output: Contribution to conference › Poster › peer-review
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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
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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
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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
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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
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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
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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
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Ab initio study of the influence of molecular structure on the static polarizability of conjugated chains
BODART, N. V., Delhalle, J. & André, J-M., 1985, Electronic properties of conjugated polymers and related compounds. Kuzmany, H. (ed.). Vol. 63. p. 191-193 3 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
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Ab initio summation over states/SCI for static and dynamic hyperpolarizabilities of small molecules
Champagne, B., Spassova, M., Monev, V., Mosley, D., André, J-M. & Kanev, I., 2000, Quantum systems in chemistry and physics. A: Basic problems and model systems. Alfonso, H. L. (ed.). London: Kluwer academic, p. 101-125 25 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
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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
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A biocodicological analysis of the medieval library and archive from Orval Abbey, Belgium
RUFFINI-RONZANI, N., Nieus, J-F., Soncin, S., Hickinbotham, S., DIEU, M., Bouhy, J., Charles, C., Ruzzier, C., Falmagne, T., Hermand, X., Collins, M. J. & Deparis, O., 2 Jun 2021, In: Royal Society Open Science. 8, 6, 210210.Research output: Contribution to journal › Article › peer-review
Open AccessFile46 Downloads (Pure) -
A bio-inspired spatial defence strategy for collective decision making in self-organized swarms
Prasetyo, J., De Masi, G., Zakir, R., Alkilabi, M., Tuci, E. & Ferrante, E., 26 Jun 2021, GECCO 2021 - Proceedings of the 2021 Genetic and Evolutionary Computation Conference. ACM Press, p. 49-56 8 p. (GECCO 2021 - Proceedings of the 2021 Genetic and Evolutionary Computation Conference).Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution
File67 Downloads (Pure) -
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
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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
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A Block-Coordinate Approach of Multi-level Optimization with an Application to Physics-Informed Neural Networks
Gratton, S., Mercier, V., Riccietti, E. & TOINT, P., May 2023, Arxiv.Research output: Working paper
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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
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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
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Abondances solaires de quelques éléments représentatifs au point de vue de la nucléosynthèse
Grevesse, N., Blanquet, G. & Boury, A., 1968, Origin and distribution of the elements. Pergamon Press, p. 177-182 6 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution
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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
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Aborder Hunger Games en classe de français? L'entrée du romanesque
Vrydaghs, D., Sept 2014, In: Échanges. 28, p. 37-45 9 p.Research output: Contribution to journal › Article
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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
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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
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Abortion in French cinema during the long 1960s and beyond
Hallet, M. & Miller, E., 23 Dec 2023, In: Modern and Contemporary France.Research output: Contribution to journal › Article › peer-review
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About a behavioral classification rule, Studies in locational analysis
Rasson, J-P., Orban-Ferauge, F. & Granville, V., 1994, Proceedings of EWGLA V, Constantine Porphyrogenerus. p. 201-210 10 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
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About estimates of measures of the conxe Hulls of sets of points related to the problem of supervised classification
Rasson, J-P., Orban-Ferauge, F. & Granville, V., 1991, Proceedings of the 27th International Symposium on Remote Sensing Environment, Rio de Janeiro, Brazil.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
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About Filter Criteria for Feature Selection in Regression
Degeest, A., Verleysen, M. & Frénay, B., 1 Jan 2019, Advances in Computational Intelligence - 15th International Work-Conference on Artificial Neural Networks, IWANN 2019, Proceedings. Rojas, I., Joya, G. & Catala, A. (eds.). Springer Verlag, p. 579-590 12 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 11507 LNCS).Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution
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About human internal migration and development in Southern Philippines marginalized areas
Daix, N., 2008, Lesvos, Greece: AGEAN.Research output: Working paper
File255 Downloads (Pure) -
About improvement of a non parametric approach of discriminant analysis: the per field classification of a segmented image
Rasson, J-P., Orban-Ferauge, F. & Granville, V., 1992, Proceedings of the 4th Euro Working Group on Locational Analysis, Puerto de la Cruz, Spain. p. 175-181 7 p.Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter
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About some international documents relating to the ethics of artificial intelligence: Some insights : accelerating Actions and Promoting Digital Wellness (DW) in the context of Artificial Intelligence(AI), 2 days Conference organized by Univ. of Hyderabad together with Information Ethics Network @ Future Africa (Univ. of Pretoria)
Poullet, Y., 2021, p. 1-10.Research output: Contribution to conference › Paper
Open AccessFile14 Downloads (Pure)