Electronic structure of the ground and excited states of β-carboline

ChemPhysChem

Volumn 9, Issue 6, 2008, Pages 896-901

  Pérez Mondéjar, Vicente ^a   García Cuesta, Inmaculada ^a   Lazzeretti, Paolo ^b   Sánchez Marín, José ^a   Sánchez De Merás, Alfredo ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

Ab initio calculations; Aromaticity; Electronic structure; Excited states; Nitrogen heterocycles

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; NUMERICAL METHODS; SOLVENTS; STABILITY CRITERIA;

AB INITIO CALCULATIONS; AROMATICITIES; COUPLED-CLUSTER CALCULATIONS; NITROGEN HETEROCYCLES; OSCILLATOR STRENGTHS; RELATIVE POSITIONS; VERTICAL EXCITATION ENERGY; ZWITTERIONIC FORMS;

EXCITED STATES;

EID: 42949104044     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200700750     Document Type: Article

References (47)