• 4467 Citations
  • 36 h-Index
1968 …2016
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Research Output 1968 2016

1977

The Calculation of NMR Spin-Spin Coupling Constants Using Standard LCAO-SCF-MO Methods

André, J-M., B.Nagy, J., Derouane, E., Fripiat, J. & Vercauteren, D., 1977, In : J. Magnet. Resonance. 26, p. 317-332 16 p.

Research output: Contribution to journalArticle

The linear combination of localized orbitals method (LCLO) for polymers. I. Polyethylene

Delhalle, J., André, J-M., DELHALLE, N. V., PIVON-MALHERBE, N. V., CLARISSE, N. V., LEROY, N. V. & PEETERS, N. V., 1977, In : Theoret. Chim. Acta.. 43, p. 215-225 11 p.

Research output: Contribution to journalArticle

1976

A floating spherical gaussian orbital model for polymers. I. General formalism and computational procedures

André, J-M., Delhalle, J., DEMANET, N. V. & LAMBERT-GERARD, N. V., 1976, In : Int. J. Quantum Chem.. S10, p. 99-105 7 p.

Research output: Contribution to journalArticle

1975

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 journalArticle

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 journalArticle

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 journalArticle

Theoretical evaluation of hydroxyl stretching frequences for hydrogen chemisorbed on MgO

Derouane, E., Fripiat, J. & André, J-M., 1975, In : Chemical Physics Letters. 35, 4, p. 525-528 4 p.

Research output: Contribution to journalArticle

1974

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 journalArticle

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 journalArticle

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 journalArticle

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 journalArticle

1972

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 journalArticle

Introduction à la chimie-physique moléculaire

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

Research output: Book/Report/JournalScholarly edition

File

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 journalArticle

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 journalArticle

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 journalArticle

1968

Étude théorique de la structure de bandes des systèmes périodiques

Andre, J-M., 1968, (Unpublished)

Research output: External Thesis Doctoral Thesis

File