Počet záznamů: 1
Conformation changes of polysilanes during the polaron formation
- 1.0188747 - UMCH-V 20023011 RIV KR eng C - Konferenční příspěvek (zahraniční konf.)
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]
Grant CEP: GA ČR GA203/99/P009; GA AV ČR IAA1050901
Výzkumný záměr: CEZ:AV0Z4050913
Klíčová slova: polaron * polysilane * quantum chemical calculation charge transport
Kód oboru RIV: BG - Jaderná, atomová a mol. fyzika, urychlovače
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.
Trvalý link: http://hdl.handle.net/11104/0084657
Počet záznamů: 1