Research Output 1966 2020

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1988

A theoretical approach to highly conducting and nonlinear optically active polymers

André, J-M., Bredas, J-L. & Delhalle, J., 1988, Proceedings of the Fourth International Symposium on Biological and Artificial Intelligence Systems. Clementi, E. & Chin, S. (eds.). p. 199-215 17 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Theoretical design of polymeric materials for nonlinear optics

DORY, N. V., BODART, N. V., Delhalle, J., André, J-M. & Bredas, J-L., 1988, Nonlinear optical properties of polymers. Heeger, A. J., Orenstein, J. & Ulrich, J. A. (eds.). Vol. 109. p. 239-250 12 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1987

Hartree-Fock pathology and large molecules

CALAIS, N. V. & Delhalle, J., 1987, Understanding molecular properties. Avery, J., Dahl, J. P. & Hansen, A. E. (eds.). p. 511-519 9 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Theoretical Investigations on Segmented Plyacetylene

Bredas, J-L., TOUSSAINT, N. V., HENNICO, N. V., Delhalle, J., André, J-M., EPSTEIN, N. V. & MacDIARMID, N. V., 1987, Electronic properties of conjugated polymers and related compounds. Kuzmany, H., Mehring, M. & Roth, S. (eds.). Vol. 76. p. 48-53 6 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Trends in calculations of polarizabilities and hyperpolarizabilities of long molecules

André, J-M., BARBIER, N. V., BODART, N. V. & Delhalle, J., 1987, Nonlinear optical properties of organic molecules and crystals. Chemla, D. S. & Zyss, J. (eds.). p. 137-158 22 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1985

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 proceedingChapter

Polythieno 3,2-b pyrrole : preparation, structure and properties

LAZZARONI, R., DUJARDIN, N. V., Riga, J., Verbist, J., Bredas, J-L., 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 proceedingChapter

Structural dependence of the longitudinal electric polarizability of finite polyene chains : an ab initio study

BODART, N. V., Delhalle, J., André, J-M. & ZYSS, N. V., 1985, Polydiacetylenes : synthesis, structure and electronic properties. Bloor, D. & Chance, R. R. (eds.). p. 125-133 9 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1984

Theoretical interpretation of valence XPS spectra of stereoregular organic polymers

Delhalle, J. & André, J-M., 1984, Quantum Chemistry of polymers : solid state aspects. Ladik, J. & André, J. M. (eds.). Vol. C113. p. 23-31 9 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Toward specific ab initio programs for polymer calculations

André, J-M., BODART, N. V., Bredas, J-L., Delhalle, J. & Fripiat, J., 1984, Quantum Chemistry of Polymers : solid state aspects. Ladik, J. & André, J. M. (eds.). Vol. C123. p. 1-21 21 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1983

A non-empirical molecular orbital study of the siting and pairing of aluminium in mordenite

Derouane, E. & Fripiat, J., 1983, Sixth international zeolite conference, Reno, Nevada, 10-15 July 1983: conference proceedings. Olson, D. (ed.). p. 717-726 10 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

Documentation for an ab initio Polymer Program (PLH)

André, J-M., Vercauteren, D., Bodart, V., Bredas, J-L., Delhalle, J. & Fripiat, J., 1983, IBM Research Report POK-28. p. 1-72 72 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1980

Relations between ESCA and valence energy band structures of stereoregular polymers

Delhalle, J., 1980, Recent advances in the quantum theory of polymers. André, J. A., Brédas, J. L., Delhalle, J., Ladik, J., Leroy, G. & Moser, C. (eds.). Vol. 113. p. 255-263 9 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1978

LCAO methods for band structure calculations of polymers

André, J-M. & Delhalle, J., 1978, Quantum theory of polymers. André, J. M., Delhalle, J. & Ladik, J. (eds.). Vol. C39. p. 1-22 22 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingChapter

1975

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 proceedingChapter