Density functional crystal orbital study of cyano-substituted poly(para-phenylene-vinylene) and poly(quinoxaline-vinylene)

F Bartha; IA Howard; P. Geerlings; C Van Alsenoy; D. Vanderzande; TJ Cleij; F Bogar

doi:10.1002/qua.20937

Density functional crystal orbital study of cyano-substituted poly(para-phenylene-vinylene) and poly(quinoxaline-vinylene)

F Bartha, IA Howard, P. Geerlings, C Van Alsenoy, D. Vanderzande, TJ Cleij, F Bogar

Maastricht Science Programme

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

Original language	English
Pages (from-to)	1912-1923
Journal	International Journal of Quantum Chemistry
Volume	106
Issue number	8
DOIs	https://doi.org/10.1002/qua.20937
Publication status	Published - Jul 2006

Keywords

conducting polymers
ionization potential
electron affinity
PPV
band structure

Access to Document

10.1002/qua.20937

Cite this

Bartha, F., Howard, IA., Geerlings, P., Van Alsenoy, C., Vanderzande, D., Cleij, TJ., & Bogar, F. (2006). Density functional crystal orbital study of cyano-substituted poly(para-phenylene-vinylene) and poly(quinoxaline-vinylene). International Journal of Quantum Chemistry, 106(8), 1912-1923. https://doi.org/10.1002/qua.20937

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title = "Density functional crystal orbital study of cyano-substituted poly(para-phenylene-vinylene) and poly(quinoxaline-vinylene)",

keywords = "conducting polymers, ionization potential, electron affinity, PPV, band structure",

author = "F Bartha and IA Howard and P. Geerlings and {Van Alsenoy}, C and D. Vanderzande and TJ Cleij and F Bogar",

year = "2006",

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language = "English",

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pages = "1912--1923",

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Density functional crystal orbital study of cyano-substituted poly(para-phenylene-vinylene) and poly(quinoxaline-vinylene). / Bartha, F; Howard, IA; Geerlings, P.; Van Alsenoy, C; Vanderzande, D.; Cleij, TJ; Bogar, F.

In: International Journal of Quantum Chemistry, Vol. 106, No. 8, 07.2006, p. 1912-1923.

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

TY - JOUR

T1 - Density functional crystal orbital study of cyano-substituted poly(para-phenylene-vinylene) and poly(quinoxaline-vinylene)

AU - Bartha, F

AU - Howard, IA

AU - Geerlings, P.

AU - Van Alsenoy, C

AU - Vanderzande, D.

AU - Cleij, TJ

AU - Bogar, F

PY - 2006/7

Y1 - 2006/7

KW - conducting polymers

KW - ionization potential

KW - electron affinity

KW - PPV

KW - band structure

U2 - 10.1002/qua.20937

DO - 10.1002/qua.20937

M3 - Article

VL - 106

SP - 1912

EP - 1923

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 8

ER -