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Conformation changes of polysilanes during the polaron formation
- 1.0188747 - UMCH-V 20023011 RIV KR eng C - Conference Paper (international conference)
Toman, Petr - Nešpůrek, Stanislav
Conformation changes of polysilanes during the polaron formation.
Multilateral Symposium between the Korean Academy of Science and Technology and the Foreign Academies. Seoul: Yonsei University, 2002, s. 614-619. ISBN 89-88706-43-9.
[Multilateral Symposium between the Korean Academy of Science and Technology and the Foreign Academies. Seoul (KR), 08.05.2002-10.05.2002]
R&D Projects: GA ČR GA203/99/P009; GA AV ČR IAA1050901
Institutional research plan: CEZ:AV0Z4050913
Keywords : polaron * polysilane * quantum chemical calculation charge transport
Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders
Quantum mechanical study of polaron formation in oligo[methyl(phenyl)silane] was performed. The conformations of the neutral, positively and negatively charged OPMSi were optimized by means of B3LYP method.
Permanent Link: http://hdl.handle.net/11104/0084657
Number of the records: 1