Manipulating the singlet-triplet energy gaps of arene-fused bis(1,2,3-dithiazoles): A computational study

Polyhedron

Volumn 64, Issue , 2013, Pages 172-180

  Constantinides, Christos P ^a   Ioannou, Theodosia A ^a   Koutentis, Panayiotis A ^a  

^a UNIVERSITY OF CYPRUS   (Cyprus)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; AROMATIZATION; CHEMICAL SHIFT; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS;

AROMATICITIES; COMPUTATIONAL STUDIES; DENSITY-FUNCTIONAL-THEORY; ELECTRON WITHDRAWING GROUP; ELECTRON-DONATING; NUCLEUS-INDEPENDENT CHEMICAL SHIFTS; ORBITAL ANALYSIS; SINGLET-TRIPLET ENERGY GAP; STATE MULTIPLICITY; ZWITTERIONICS;

GROUND STATE;

EID: 84884813328     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2013.03.054     Document Type: Article

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