Effects of side-chain and electron exchange correlation on the band structure of perylene diimide liquid crystals: A density functional study

Journal of Physical Chemistry B

Volumn 113, Issue 16, 2009, Pages 5376-5380

  Arantes, J T ^a   Lima, M P ^b   Fazzio, A ^a   Xiang, H ^c   Wei, Su Huai ^c   Dalpian, G M ^a  

^a UNIVERSIDADE FEDERAL DO ABC   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CRYSTAL STRUCTURE; ELECTRON TRANSITIONS; ELECTRONIC PROPERTIES; HYDROGEN; HYDROGEN BONDS; LIGHT SOURCES; LIQUID CRYSTALS; MATERIALS PROPERTIES; MODEL STRUCTURES; MOLECULAR CRYSTALS; OPTICAL PROPERTIES;

A-DENSITY; AB INITIO METHOD; BAND EDGE; CRYSTALLOGRAPHIC DATA; ELECTRON EXCHANGE; ENERGY LEVEL; PERYLENEDIIMIDE; SIDE CHAINS; SIDE-CHAIN; STANDARD METHOD; STRUCTURAL CONFORMATIONS; STRUCTURAL MODELS; THEORETICAL APPROACH;

DENSITY FUNCTIONAL THEORY;

EID: 66349112637     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8101018     Document Type: Article

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