Chemistry Department &ndash; Research Output

1966

Etude par diffraction de rayons X de complexes d'halogénures alcalins et de molécules organiques. V: Structure du complexe chlorure du lithium dioxanne-1,4

Durant, F., Gobillon, Y., Piret, P. & Van Meerssche, M., 1966, In : Bulletin des sociétés chimiques belges. 75, p. 52-69 18 p.

Research output: Contribution to journal › Article

Etude par diffraction de rayons X de complexes d'halogénures alcalins et de molécules organiques. VII: Structure de LiCl.C₅H₅N

Durant, F., Verbist, J. & Van Meerssche, M., 1966, In : Bulletin des sociétés chimiques belges. 75, p. 806-823 18 p.

Research output: Contribution to journal › Article

1967

Etude par diffraction de rayons X de complexes d'halogénures alcalins et de molécules organiques. IX: Structures de LiBr.2NH₂CH₂CH₂NH₂ et de LiCl.2NH₂CH₂CH₂NH₂

Durant, F., Piret, P. & Van Meerssche, M., 1967, In : Acta crystallographica. 23, 5, p. 780-788 9 p.

Research output: Contribution to journal › Article

Etude par diffraction de rayons X de complexes d'halogénures alcalins et de molécules organiques. VI: Structure de LiCl.2C₅H₅N.H₂O

Durant, F., Piret, P. & Van Meerssche, M., 1967, In : Acta crystallographica. 22, 1, p. 52-57 6 p.

Research output: Contribution to journal › Article

Reaction des ynamines avec la p. benzoquinone et la N-phenyl p. benzoquinone-imine

Ficini, J. & Krief, A., 1 Jan 1967, In : Tetrahedron Letters. 8, 26, p. 2497-2501 5 p.

Research output: Contribution to journal › Article

1968

Cycloaddition du déhydrobenzène sur les ynamines et sur les dérivés benzocyclobutadiéniques, intermédiaires de la réaction

Ficini, J. & Krief, A., 1 Jan 1968, In : Tetrahedron Letters. 9, 39, p. 4143-4146 4 p.

Research output: Contribution to journal › Article

Étude théorique de la structure de bandes des systèmes périodiques

Andre, J-M., 1968, (Unpublished)

Research output: External Thesis › Doctoral Thesis

File

Structure cristalline du chlorure de lithium dioxanne-1,4 monohydrate: LiCl.C₄H₈O₂.H₂O

Durant, F. & Griffe, M., 1968, In : Bulletin des sociétés chimiques belges. 77, p. 557-568 12 p.

Research output: Contribution to journal › Article

Synthese d'amino-4 quinolones-2 par reaction des ynamines sur les arylisocyanates.

Ficini, J. & Krief, A., 1 Jan 1968, In : Tetrahedron Letters. 9, 8, p. 947-951 5 p.

Research output: Contribution to journal › Article

1969

Synthèse d'amino-2 γ-pyranes, à partir des ynamines et des cétones et aldéhydes α,β-éthyléniques.

Ficini, J. & Krief, A., 1 Jan 1969, In : Tetrahedron Letters. 10, 18, p. 1427-1430 4 p.

Research output: Contribution to journal › Article

Synthèse d'amino bicyclo (3,2,0) hepténones et amino (4,2,0) octénones par action d'une ynamine sur des cétones cycliques α,β-éthyléniques.

Ficini, J. & Krief, A., 1 Jan 1969, In : Tetrahedron Letters. 10, 18, p. 1431-1434 4 p.

Research output: Contribution to journal › Article

1970

Etude théorique des systèmes périodiques. IV. Formulations matricielle de la méthode LCAO-SCF-CO

André, J-M., Delhalle, J. & LEROY, G., 1970, In : Bull. Soc. Chim. Belges. 79, p. 245-255 11 p.

Research output: Contribution to journal › Article

Etude théorique des systèmes périodiques. V. Les expressions analytiques des intégrales électroniques et des bandes d'énergie

André, J-M., Delhalle, J. & LEROY, G., 1970, In : Bull. Soc. Chim. Belges. 79, p. 257-264 8 p.

Research output: Contribution to journal › Article

Stereochemical control in the hydrolysis of an ynamine-cyclopentenone adduct: a stereoselective route to diastereoisomeric 2-(1-cyclopentyl 3-oxo) propionic acids.

Ficini, J. & Krief, A., 1 Jan 1970, In : Tetrahedron Letters. 11, 17, p. 1397-1400 4 p.

Research output: Contribution to journal › Article

Structure cristalline de l'ester éthylique de la tyrosine

Pieret, A., Durant, F., Griffe, M., Germain, G. & Debaerdemaeker, T., 1970, In : Acta crystallographica. B. 26, 12, p. 2117-2124 8 p.

Research output: Contribution to journal › Article

Synthèse d'amino-2 alcoxy-6 γ pyrannes et de carbométhoxycyclobutanones par cycloaddition d'une ynamine sur les esters α-β éthyléniques.

Ficini, J. & Krief, A., 1 Jan 1970, In : Tetrahedron Letters. 11, 11, p. 885-888 4 p.

Research output: Contribution to journal › Article

1971

Computation of LCAO wave functions for ground states of polymers and solids

André, J-M., Delhalle, J., Fripiat, J. & LEROY, G., 1971, In : Int. J. Quantum Chem.. 5, p. 67-84 18 p.

Research output: Contribution to journal › Article

Éléments de mécanique ondulatoire

Deconninck, G., 1971, 80 p.

Research output: Book/Report/Journal › Scholarly edition

File

1972

2(S)-carboxy 4(R) 5(S)-dihydroxypiperidine hydrochloride, C₆H₁₂ClNO₄

Evrard, G., Durant, F. & Marlier, M., 1972, In : Crystal structure communications. 1, p. 215-217 3 p.

Research output: Contribution to journal › Article

Etude critique de la méthode du champ auto-cohérent LCAO

André, J-M., ANDRE, M-C., Delhalle, J. & LEROY, G., 1972, In : Annales Soc. Scient. Bruxelles. 86, p. 130-192 63 p.

Research output: Contribution to journal › Article

Etude préliminaire pour l'obtention des dérivées locales des bandes d'énergie des polymères en méthode LCAO-CO par le "partioning technique"

Delhalle, J., 1972, In : Annales Soc. Scient. Bruxelles. 86, p. 277-281 5 p.

Research output: Contribution to journal › Article

1 Downloads (Pure)

Introduction à la chimie-physique moléculaire

Andre, J-M., 1972, 111 p.

Research output: Book/Report/Journal › Scholarly edition

File

N-acetyl-L-tyrosine ethyl ester monohydrate: C₁₃H₁₇NO₄.H₂O

Pieret, A., Durant, F., Germain, G. & Koch, M., 1972, In : Crystal structure communications. 1, p. 75-77 3 p.

Research output: Contribution to journal › Article

On the need for computing derivatives of energy bands in band structure calculations

André, J-M., Delhalle, J., KAPSOMENOS, G. & LEROY, G., 1972, In : Chemical Physics Letters. 14, p. 485-488 4 p.

Research output: Contribution to journal › Article

Structure cristalline des acides O-acetylthiophenecarboxyliques

Griffe, M., Durant, F. & Pieret, A., 1972, In : Bulletin des sociétés chimiques belges. 81, p. 319-332 14 p.

Research output: Contribution to journal › Article

Wave mechanical studies of linear polymers : correlation between charge distributions and ESCA chemical shifts in polyfluoroethylenes

André, J-M. & Delhalle, J., 1972, In : Chemical Physics Letters. 17, p. 145-149 5 p.

Research output: Contribution to journal › Article

1973

Comments on a comparison of the photoelectron spectrum and crystal orbital calculations on polyethylene

André, J-M., Delhalle, J., DELHALLE, N. V., Caudano, R., Pireaux, J-J. & Verbist, J., 1973, In : Chem. Phys. Letters. 23, p. 206-210 5 p.

Research output: Contribution to journal › Article

Etude théorique de la liaison N-N des notrosométhanes dimères par les méthodes CNDO/2 et INDO

DELHALLE, N. V., Delhalle, J. & LEROY, N. V., 1973, In : Annales Soc. Scient. Bruxelles. 87, p. 429-440 12 p.

Research output: Contribution to journal › Article

Extension of LCAO Density Matrix Method for Solids and Polymers

André, J-M., Delhalle, J. & LEROY, N. V., 1973, In : Bull. Soc. Chim. Belges. 82, p. 1-7 7 p.

Research output: Contribution to journal › Article

1974

2(S)3(R)4(S) Β-hydroxy Γ-methyl glutamic acid, C₆H₁₁NO₅

Evrard, G. & Durant, F., 1974, In : Crystal structure communications. 3, p. 65-67 3 p.

Research output: Contribution to journal › Article

2(S)-carboxy 4(S) 5(S)-dihydroxypiperidine hydrochloride, C₆H₁₂ClNO₄

Evrard, G., Durant, F. & Marlier, M., 1974, In : Crystal structure communications. 3, p. 61-63 3 p.

Research output: Contribution to journal › Article

A New Reagent for Stereospecific Synthesis of Aziridines from Olefins

Van Ende, D. & Krief, A., 1974, In : Angew. Chem. Int. Ed.. 13

Research output: Contribution to journal › Article

Cleavage of Selenium Compounds by Butyllithium. A New, Regiospecific, Allyl Alcohol Synthon

Dumont, W., Bayet, P. & Krief, A., 1974, In : Angew. Chem. Int. Ed.. 13, p. 804-805 2 p.

Research output: Contribution to journal › Article

Electronic structure of fluoropolymers : theory and ESCA measurements

Pireaux, J-J., Riga, J., Caudano, R., Verbist, J., André, J-M., Delhalle, J. & DELHALLE, N. V., 1974, In : J. Electron Spectrosc.. 5, p. 531-550 20 p.

Research output: Contribution to journal › Article

Electronic Structure of polyethylene : theory and ESCA measurements

Delhalle, J., André, J-M., DELHALLE, N. V., Pireaux, J-J., Caudano, R. & Verbist, J., 1974, In : J. Chem. Phys.. 60, p. 595-600 6 p.

Research output: Contribution to journal › Article

Influence of chemical substitution on energy band structure of polyfluoroethylenes

Delhalle, J., 1974, In : Chem. Phys. . 5, p. 306-314 9 p.

Research output: Contribution to journal › Article

On the need of precision in the calculation of LCAO density matrix of polymers

Delhalle, J., 1974, In : Int. J. Quantum Chem.. 8, p. 201-208 8 p.

Research output: Contribution to journal › Article

Structure électronique des bandes de valence du polyéthylène et de dérivés fluorés

Delhalle, J., DELHALLE, N. V. & André, J-M., 1974, In : Bull. Soc. Chim. Belges. 83, p. 100-107 8 p.

Research output: Contribution to journal › Article

Synthesis and Reactions of Unstabilized alpha-Selenonio Alkylides

Dumont, W., Bayet, P. & Krief, A., 1974, In : Angew. Chem. Int. Ed.. 13

Research output: Contribution to journal › Article

Theoretical evaluation of the possibility of hydrogen release during the thermal activation of hydrated magnesium oxide surfaces

Derouane, E., Fripiat, J. & André, J-M., 1974, In : Chemical Physics Letters. 28, 3, p. 445-448 4 p.

Research output: Contribution to journal › Article

Virginiamycin: factor M-dioxane: C₃₂H₄₃N₃O₉

Durant, F., Evrard, G., Declercq, J. P. & Germain, G., 1974, In : Crystal structure communications. 3, p. 503-510 8 p.

Research output: Contribution to journal › Article

X-ray photoelectron spectra of uranium and uranium oxides. Correlation with the half-life of 235Um

Pireaux, J-J., Verbist, J., Caudano, R. & Riga, J., 1974, In : Journal of Electron Spectroscopy and Related Phenomena. 5, Issue 1, p. 193-205 13 p.

Research output: Contribution to journal › Article

1975

A Highly Potent Reagent for Regioselective and Stereospecific Synthesis of Polyenes Bearing Terminal Aziridine Groups.

Van Ende, D. & Krief, A., 1975, In : Angew. Chem. Int. Ed.. 13, p. 279-280 2 p.

Research output: Contribution to journal › Article

A New Route to Epoxides

Van Ende, D., Dumont, W. & Krief, A., 1975, In : Angew. Chem. Int. Ed.. 14, p. 700-701 2 p.

Research output: Contribution to journal › Article

Calcul de la densité des états électroniques des polymères stéréoréguliers. I. Procédés par échantillonnage

Delhalle, J., 1975, In : Bull. Soc. Chim. Belges. 84, p. 135-144 10 p.

Research output: Contribution to journal › Article

Conformational effects on the valence electronic structure of polyethylene

DELHALLE, N. V., Delhalle, J., DEMANET, N. V. & André, J-M., 1975, In : Bull. Soc. Chim. Belges. 84, p. 1071-1080 10 p.

Research output: Contribution to journal › Article

Electron spin density distribution in the CO⁺, CO₂^- and O₂^- radicals as a function of geometry

Vercauteren, D. P., André, J. M. & Derouane, E. G., 15 Nov 1975, In : Chem. Phys. Lett.. 36, 3, p. 322-327 6 p.

Research output: Contribution to journal › Article

Bond length

Carbon Monoxide

electron spin

density distribution

electric contacts

Influence of cross-section on the density of states distribution of polyethylene

Delhalle, J., DELHALLE, N. V. & André, J-M., 1975, In : Chem. Phys. Letters. 34, p. 430-433 4 p.

Research output: Contribution to journal › Article

New Synthetic Route to Di- and Trisubstituted Epoxides

Dumont, W. & Krief, A., 1975, In : Angew. Chem. Int. Ed.. 14, p. 350-351 2 p.

Research output: Contribution to journal › Article

Numerical problems in calculating electronic structure of one-dimensional chains

Delhalle, J., 1975, Electronic structure of polymers and molecular crystals. André, J. M. & Ladik, J. (eds.). Vol. B9. p. 53-78 26 p.

Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter