Theoretical investigation of molecular excited states in polar organic monolayers via an efficient embedding approach

Theoretical Chemistry Accounts

Volumn 131, Issue 3, 2012, Pages 1-8

  Terentjevs, Aleksandrs ^a   Fabiano, Eduardo ^a   della Sala, Fabio ^a,b  

^a NATIONAL NANOTECHNOLOGY LABORATORY   (Italy)

^b ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

Author keywords

Excited state; Polarizability; QM MM; Self assembled monolayers; Time dependent density functional theory; Workfunction shift

Indexed keywords

EID: 84859050859     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1154-6     Document Type: Article

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