Počet záznamů: 1
Molecular simulations of materials with optical properties.
- 1.0479336 - ÚMCH 2018 CZ eng A - Abstrakt
Kovář, P. - Zima, Vítězslav - Melánová, Klára - Beneš, L. - Svoboda, J. - Demel, Jan
Molecular simulations of materials with optical properties.
Workshop on Layered Materials. Praha: ÚFCh AV ČR, v. v. i., 2017. Op11. ISBN 978-80-87351-45-1.
[Workshop on Layered Materials. 01.09.2017-05.09.2017, Třešť]
Institucionální podpora: RVO:61389013 ; RVO:61388980
Klíčová slova: molecular modeling * intercalation * chromophores
Kód oboru RIV: CA - Anorganická chemie
Molecular simulations combined with experiments (XRD, FTIR measurements, chemical analysis, etc.) can provide a detailed view into investigated material, mutual interactions between individual parts of the system and they help to better understand a structure – properties relationship. Molecular simulations were applied to describe the structures of zirconium sulfophenylphosphonate (ZrSPhP) intercalated with chromophores with NLO properties based on dipyridylamine molecule (APY2).
Trvalý link: http://hdl.handle.net/11104/0277142
Počet záznamů: 1