Počet záznamů: 1
Understanding the Effect of Conformation on Hole Delocalization in Poly(dimethylsilane)
- 1.0494829 - ÚOCHB 2019 RIV US eng J - Článek v odborném periodiku
Jovanovic, Milena - Michl, Josef
Understanding the Effect of Conformation on Hole Delocalization in Poly(dimethylsilane).
Journal of the American Chemical Society. Roč. 140, č. 36 (2018), s. 11158-11160. ISSN 0002-7863. E-ISSN 1520-5126
Institucionální podpora: RVO:61388963
Klíčová slova: sigma conjugation * high polymers * band
Obor OECD: Physical chemistry
Impakt faktor: 14.695, rok: 2018
Density functional theory calculations confirm that the simple explanation of the origin of the striking conformational dependence of sigma-electron localization/delocalization in polysilanes offered by the extremely simple Ladder C model is correct.
Trvalý link: http://hdl.handle.net/11104/0287891
Počet záznamů: 1