Spin density calculations for two electron-acceptor constituents of molecular magnets: Tetracyanoethylene and hexacyanobutadiene

Journal of Optoelectronics and Advanced Materials

Volumn 8, Issue 1, 2006, Pages 191-196

  Oprea, C I ^a   Damian, A ^b   Girtu M A ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b OVIDIUS UNIVERSITY   (Romania)

Author keywords

Charge transfer salts; Density functional theory; Electron affinity; Molecular magnets; Perturbation theory; Spin density

Indexed keywords

CHARGE TRANSFER; ELECTRON AFFINITY; ELECTRONIC STRUCTURE; ELECTRONS; MAGNETIC PROPERTIES; MAGNETS; MOLECULES; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY; SALTS;

CHARGE-TRANSFER SALTS; ELECTRON-ACCEPTING; ELECTRONIC SPECTRUM; MOLECULAR MAGNET; PERTURBATION THEORY; QUANTUM CHEMICAL CALCULATIONS; SPIN DENSITIES; TETRACYANOETHYLENE;

DENSITY FUNCTIONAL THEORY;

EID: 33645995154     PISSN: 14544164     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Conference Paper

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