DFT study of the electronic structure of anthracene derivatives in their neutral, anion and cation forms

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 41, Issue 20, 2008, Pages

  Kukhta, A V ^a   Kukhta, I N ^a   Kukhta, N A ^b   Neyra, O L ^c   Meza, E ^c  

^a B I STEPANOV INSTITUTE OF PHYSICS   (Belarus)

^b BELARUSIAN STATE UNIVERSITY   (Belarus)

^c UNIVERSIDAD POPULAR DEL CESAR   (Colombia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTHRACENE; DENSITY FUNCTIONAL THEORY; DYES; ELECTRONIC STRUCTURE; ELECTRONS; INTERNET PROTOCOLS; IONIZATION POTENTIAL; KETONES; POLYCYCLIC AROMATIC HYDROCARBONS;

ANTHRACENE DERIVATIVES; ATOMIC CHARGES; CATIONIC CHARGES; DFT STUDIES; EFFECT OF ADDITIONS; EXPERIMENTAL DATUMS; FRONTIER ORBITALS; OPTICAL GAPS; REORGANIZATION ENERGIES;

ELECTRON AFFINITY;

EID: 58149279606     PISSN: 09534075     EISSN: 13616455     Source Type: Journal    
DOI: 10.1088/0953-4075/41/20/205701     Document Type: Article

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