Conference item

Molecular orbital models of poly(p-phenylene)

Abstract:: A two molecular orbital model of poly(para-phenylene) based on the under-lying Pariser-Parr-Pople model is introduced. The model is solved using the density matrix renormalisation group method for oligomers of up to 15 repeat units.

Publication status:: Published

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APA Style

Daly, H., Barford, W., & Bursill, R. (1999). Molecular orbital models of poly(p-phenylene). 101(1-3), 381–382.

MLA Style

Daly, H, et al. “Molecular Orbital Models of Poly(p-Phenylene).” vol. 101, nos. 1-3, 1999, pp. 381–82.

Chicago Style

Daly, H, W Barford, and R Bursill. 1999. “Molecular Orbital Models of Poly(p-Phenylene).” 101 (1-3): 381–82.
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Publisher copy:: 10.1016/S0379-6779(98)00806-6

Authors

+ Daly, H More by this author

Role:: Author

+ Barford, W More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Physical & Theoretical Chem
Role:: Author

+ Bursill, R More by this author

Role:: Author

Publisher:: Elsevier
Host title:: SYNTHETIC METALS
Volume:: 101
Issue:: 1-3
Pages:: 381-382
Publication date:: 1999-05-01
DOI:: 10.1016/S0379-6779(98)00806-6
ISSN:: 0379-6779

Keywords:: semi-empirical models and calculations

poly(para-phenylene) and derivatives
Pubs id:: pubs:37083
UUID:: uuid:f15fe351-425e-4257-993f-5f4795612b19
Local pid:: pubs:37083
Source identifiers:: 37083
Deposit date:: 2013-11-17
ARK identifier:: ark:/29072/ora_f15fe351425e4257993f5f4795612b19

Terms of use

Copyright date:: 1999

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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