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Torsional Potentials and Fulldimensional Simulation of Electronic Absorption Spectra of para-Phenylenevinylene Oligomers Using Semiempirical Hamiltonians
- 1.0353916 - ÚOCHB 2011 RIV SG eng J - Journal Article
Lukeš, V. - Šolc, R. - Barbatti, M. - Lischka, Hans - Kauffmann, H. F.
Torsional Potentials and Fulldimensional Simulation of Electronic Absorption Spectra of para-Phenylenevinylene Oligomers Using Semiempirical Hamiltonians.
Journal of Theoretical & Computational Chemistry. Roč. 9, č. 1 (2010), s. 249-263. ISSN 0219-6336. E-ISSN 1793-6888
Institutional research plan: CEZ:AV0Z40550506
Keywords : density functional theory * poly(para-phenylene vinylene) * excitation-energies * excited-states * dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.800, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006247
Number of the records: 1