نتائج البحث - "J. G. Fripiat"

1

ChemInform Abstract: A Theoretical View and Approach to the Physics and Chemistry of Zeolites and Molecular Sieves

المؤلفون: E. G. DEROUANE, J. M. ANDRE, L. LEHERTE, P. GALET, D. VANDERVEKEN, D. P. VERCAUTEREN, J. G. FRIPIAT

المصدر: ChemInform. 22

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ff22e308862063c28527ca9e59e17826
https://doi.org/10.1002/chin.199113363

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2

Quantum Chemistry and Non-Equilibrium Thermodynamics: Does Chaos Play a Role in Quantum Chemical Calculations?

المؤلفون: J.-M. André, M.-Cl. André, J. G. Fripiat, C. Lambert, Theodore E. Simos, George Maroulis

المصدر: AIP Conference Proceedings.

مصطلحات موضوعية: Physics, Quantum chemical, Chaotic, Non-equilibrium thermodynamics, Thermodynamics, Quantum chemistry, Nonlinear Sciences::Chaotic Dynamics, Polyacetylene, chemistry.chemical_compound, Classical mechanics, chemistry, Ab initio quantum chemistry methods, Nonlinear Sciences::Pattern Formation and Solitons, Bifurcation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::eb4dc8454165c69fc4204dd6e9da9e46
https://doi.org/10.1063/1.2836024

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3

Fourier Representation Methods for Mo̸ller-Plesset Perturbation Theory in One-Dimensionally Periodic Systems

المؤلفون: J. G. Fripiat, J. Delhalle, Frank E. Harris, Theodore E. Simos, George Maroulis

المصدر: AIP Conference Proceedings.

مصطلحات موضوعية: symbols.namesake, Fourier transform, Fourier analysis, Ab initio quantum chemistry methods, Fourier representation, Computation, Lattice (order), Quantum mechanics, symbols, Ab initio, Physics::Atomic Physics, Mathematics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5c84ea460ed103cdf7a71fc2637ccdb8
https://doi.org/10.1063/1.2836033

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4

LCAO Ab Initio Band Structure Calculations for Polymers

المؤلفون: J. M. André, J. L. Brédast, J. Delhalle, D. J. Vanderveken, D. P. Vercauteren, J. G. Fripiat

المصدر: Modem Techniques in Computational Chemistry: MOTECC-91 ISBN: 9789072199102

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::67df00e3a0fdc6b169f4664b1c7f5826
https://doi.org/10.1007/978-94-011-3032-5_19

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5

Electron correlation in linear hydrogen chains

المؤلفون: J. Dehalle, J. M. André, J. G. Fripiat

المصدر: International Journal of Quantum Chemistry. 23:1179-1189

مصطلحات موضوعية: Electronic correlation, Hydrogen, Chemistry, Binding energy, Physics::Atomic and Molecular Clusters, chemistry.chemical_element, Perturbation (astronomy), Physical and Theoretical Chemistry, Atomic physics, Configuration interaction, Condensed Matter Physics, Molecular physics, Atomic and Molecular Physics, and Optics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::951c357de72b6bde040c11c6d9a2714a
https://doi.org/10.1002/qua.560230408

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6

Quantum mechanical calculations on molecular sieves. 1. Properties of the Si-O-T (T = Si, Al, B) bridge in zeolites

المؤلفون: J. G. Fripiat, E. G. Derouane

المصدر: The Journal of Physical Chemistry. 91:145-148

مصطلحات موضوعية: chemistry.chemical_classification, chemistry, Computational chemistry, Gaussian orbital, General Engineering, Physical chemistry, Chemical stability, Physical and Theoretical Chemistry, Molecular sieve, Zeolite, Inorganic compound, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5b0d981b5536d95fae0813ca7cf02c1f
https://doi.org/10.1021/j100285a032

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7

A nonempirical molecular orbital study of the siting and pairing of aluminum in ferrierite

المؤلفون: Janos B. Nagy, P. Galet, Eric G. Derouane, Jean-Marie André, Joseph Delhalle, J. G. Fripiat

المصدر: The Journal of Physical Chemistry. 89:1932-1937

مصطلحات موضوعية: Ferrierite, Chemistry, Computational chemistry, Chemical physics, Covalent bond, Pairing, General Engineering, Ab initio, Charge density, Molecular orbital, Physical and Theoretical Chemistry, Zeolite, Mordenite

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::444982894075cde02b5ca5b45ab24e48
https://doi.org/10.1021/j100256a024

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8

ChemInform Abstract: THEORETICAL INVESTIGATION OF ELECTRONIC AND MOLECULAR STRUCTURES OF BITHIOPYRANYLIDENE AND RELATED CONDUCTING COMPLEXES

المؤلفون: J. P. BOUTIQUE, J. J. VERBIST, J. G. FRIPIAT, J. DELHALLE

المصدر: Chemischer Informationsdienst. 15

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::713766ed89c523e8c721f14471798544
https://doi.org/10.1002/chin.198422089

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9

ChemInform Abstract: ELECTRONIC STRUCTURE OF NAPHTHO(1,8-CD:4,5-C′D′)BIS(1,2,6)THIA- AND -SELENADIAZINES. AB INITIO CALCULATIONS AND PHOTOELECTRON SPECTRA

المؤلفون: J. P. BOUTIQUE, J. RIGA, J. J. VERBIST, J. DELHALLE, J. G. FRIPIAT, J. M. ANDRE, R. C. HADDON, M. L. KAPLAN

المصدر: Chemischer Informationsdienst. 13

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::6b4d3fe2dcacfcdaf09f90918896e20b
https://doi.org/10.1002/chin.198234042

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10

ChemInform Abstract: CONDENSED FIVE-MEMBERED HETEROCYCLES WITH POTENTIALITIES AS CONDUCTING POLYMERS: AB INITIO ELECTRONIC STRUCTURES AND THEORETICAL VALENCE X-RAY PHOTOELECTRON SPECTRA

المؤلفون: R. LAZZARONI, J. P. BOUTIQUE, J. RIGA, J. J. VERBIST, J. G. FRIPIAT, J. DELHALLE

المصدر: Chemischer Informationsdienst. 16

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::620c17194627acead2ca250a3d8790f3
https://doi.org/10.1002/chin.198516083

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