Theoretical investigation of the electronic spectrum of pyrazine

Theoretical Chemistry Accounts

Volumn 125, Issue 3-6, 2010, Pages 521-533

  Woywod, Clemens ^a   Papp, Attila ^b   Halász, Gábor J ^b   Vibók, Ágnes ^b  

^a UNIVERSITY OF TROMSØ   (Norway)

^b UNIVERSITY OF DEBRECEN   (Hungary)

Author keywords

CASPT2; CASPT3; CASSCF; Electronic spectrum; Pyrazine; Rydberg states; Vertical excitations

Indexed keywords

EID: 77949273901     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0678-x     Document Type: Article

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