Some aspects of bonding and binding in polymeric chains

J. M. André; J. L. Brédas; J. Delhalle

doi:10.1002/qua.560190619

Some aspects of bonding and binding in polymeric chains

J. M. André^*, J. L. Brédas, J. Delhalle

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The status of theoretical calculations on polymers is illustrated by two specific problems. The first one is the interpretation of ESCA results on polymers by suitable ab initio calculations. The second problem is the very timely one of bond alternation in polymers. The reliability of theoretical calculations at various levels and the possible central role of electron correlation are discussed.

Original language	English (US)
Pages (from-to)	1105-1111
Number of pages	7
Journal	International Journal of Quantum Chemistry
Volume	19
Issue number	6
DOIs	https://doi.org/10.1002/qua.560190619
State	Published - Jun 1981
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1002/qua.560190619

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@article{bc3afe59107c4e488df8ae0f43024955,

title = "Some aspects of bonding and binding in polymeric chains",

abstract = "The status of theoretical calculations on polymers is illustrated by two specific problems. The first one is the interpretation of ESCA results on polymers by suitable ab initio calculations. The second problem is the very timely one of bond alternation in polymers. The reliability of theoretical calculations at various levels and the possible central role of electron correlation are discussed.",

author = "Andr{\'e}, {J. M.} and Br{\'e}das, {J. L.} and J. Delhalle",

year = "1981",

month = jun,

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language = "English (US)",

volume = "19",

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AU - André, J. M.

AU - Brédas, J. L.

AU - Delhalle, J.

PY - 1981/6

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N2 - The status of theoretical calculations on polymers is illustrated by two specific problems. The first one is the interpretation of ESCA results on polymers by suitable ab initio calculations. The second problem is the very timely one of bond alternation in polymers. The reliability of theoretical calculations at various levels and the possible central role of electron correlation are discussed.

AB - The status of theoretical calculations on polymers is illustrated by two specific problems. The first one is the interpretation of ESCA results on polymers by suitable ab initio calculations. The second problem is the very timely one of bond alternation in polymers. The reliability of theoretical calculations at various levels and the possible central role of electron correlation are discussed.

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U2 - 10.1002/qua.560190619

DO - 10.1002/qua.560190619

M3 - Article

AN - SCOPUS:84984068479

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VL - 19

SP - 1105

EP - 1111

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 6

ER -

Some aspects of bonding and binding in polymeric chains

Abstract

ASJC Scopus subject areas

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