http://www.cnr.it/ontology/cnr/individuo/prodotto/ID720
Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces (Articolo in rivista)
- Type
- Label
- Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces (Articolo in rivista) (literal)
- Anno
- 2006-01-01T00:00:00+01:00 (literal)
- Alternative label
Curutchet, C; Cammi, R; Mennucci, B; Corni, S (2006)
Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces
in The Journal of chemical physics
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Curutchet, C; Cammi, R; Mennucci, B; Corni, S (literal)
- Pagina inizio
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Univ Parma, Dipartimento Chim Gen & Inorgan Chim Analit & Chi, I-43100 Parma, Italy; Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy; CNR, INFM, Natl Res Ctr NanoStruct & BioSyst Surfaces, I-41100 Modena, Italy (literal)
- Titolo
- Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces (literal)
- Abstract
- In this paper we present a quantum mechanical model to study excitation energy transfers in molecular systems located in the vicinity of an interface. The model is based on an approximate solution of the time-dependent density functional theory equations and solvent effects are introduced in terms of the integral equation formalism version of the polarizable continuum model. A unique characteristic of this model is that environment induced polarizing effects on the interacting molecules and screening effects on their interaction are included in a coherent and self-consistent way. The model is applied to different situations of the ethylene dimer in the vicinity of an air/water interface and compared with an alternative quantum electrodynamics approach. (c) 2006 American Institute of Physics. (literal)
- Prodotto di
- Autore CNR
- Insieme di parole chiave
Incoming links:
- Autore CNR di
- Prodotto
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
- Insieme di parole chiave di