Košík

0484085 - ÚFCH JH 2018 RIV US eng J - Článek v odborném periodiku
Pederzoli, Marek - Pittner, Jiří
A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene.
Journal of Chemical Physics. Roč. 146, č. 11 (2017), č. článku 114101. ISSN 0021-9606. E-ISSN 1089-7690
Grant CEP: GA ČR(CZ) GAP208/12/0559
Institucionální podpora: RVO:61388955
Klíčová slova: configuration-interaction method * potential-energy surfaces * excited-state dynamics * photodissociation dynamics * electronic states * quantum dynamics
Obor OECD: Physical chemistry
Impakt faktor: 2.843, rok: 2017
Trvalý link: http://hdl.handle.net/11104/0279279