Time dependent density functional theory calculations for the electronic excitations of pyrrole-acrylamide copolymers

Synthetic Metals

Volumn 135-136, Issue , 2003, Pages 463-464

  Yurtsever, M ^a   Sonmez G ^a   Sarac A S ^a  

^a ISTANBUL TECHNICAL UNIVERSITY   (Turkey)

Author keywords

Density functional calculations; Pyrrole acrylamide copolymer

Indexed keywords

ABSORPTION; ACRYLIC MONOMERS; ELECTROCHEMISTRY; ELECTROLYTES; ELECTRONIC STRUCTURE; NITROGEN COMPOUNDS; OLIGOMERS; PROBABILITY DENSITY FUNCTION; ULTRAVIOLET SPECTROSCOPY;

DENSITY FUNCTIONAL CALCULATIONS; ELECTRONIC EXCITATIONS; PLANARITY; PYRROLE-ACRYLAMIDE COPOLYMERS;

COPOLYMERS;

EID: 13444265079     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0379-6779(02)00690-2     Document Type: Conference Paper

References (8)

1. Zotti G, Cattarin S and Comisso N, J Electrnanal Chem 235: 259 (1987).
2. Raymond DE and Harrison DJ, J Electroanal Chem 355: 115 (1993).
3. Ropoport H and Holden KG, J Am Chem Soc 84: 635 (1962).
4. Ropoport H, Castagnioli N and Holden KG, J Org Chem 29: 883 (1964).
5. Zotti G, Martina S, Wegner G, Schluter AD, Adv Mater 4: 798 (1992).
6. A.S. Saraç, G. Gönmez, Polym. Int., 51 (2002) 594.
7. Gaussian 98, Revision A.6, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Slefanov, G. Liu, A. Liashenko, P. Piskorz, T. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, K. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
8. A.D.Becke, J.Chem.Phys. 104 (1996) 1040.