Theoretical characterization of the absorption spectra of phenanthrene and its radical cation

Theoretical Chemistry Accounts

Volumn 110, Issue 3, 2003, Pages 224-232

  Gonzalez Luque R ^a   Serrano Andres L ^a   Merchan M ^a   Fulscher M P ^b,c  

^a UNIVERSITY OF VALENCIA   (Spain)

^b LUND UNIVERSITY   (Sweden)

^c LUND UNIVERSITY HOSPITAL   (Sweden)

Author keywords

Absorption spectrum; Complete active space second order perturbation theory; Excited states

Indexed keywords

CATION; PHENANTHRENE;

ABSORPTION SPECTROSCOPY; ANALYTIC METHOD; ARTICLE; CHEMICAL ANALYSIS; CONFORMATIONAL TRANSITION; ENERGY; GEOMETRY; THEORY;

EID: 0242490361     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0470-2     Document Type: Article

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