Electronic structure, charge density, and chemical bonding properties of C11H8N2O o-methoxydicyanovinylbenzene (DIVA) single crystal

Journal of Materials Science

Volumn 48, Issue 15, 2013, Pages 5157-5162

  Reshak, A H ^a   Kamarudin, H ^a   Kityk, I V ^b   Auluck, S ^c  

^a UNIVERSITY MALAYSIA PERLIS   (Malaysia)

^b CZESTOCHOWA UNIVERSITY OF TECHNOLOGY   (Poland)

^c NATIONAL PHYSICAL LABORATORY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLOGRAPHIC PLANE; ELECTRON CHARGE DENSITY; ELECTRONIC CHARGE DENSITY; EXCHANGE AND CORRELATION; EXCHANGE CORRELATION ENERGY; GENERALIZED GRADIENT APPROXIMATIONS; GRADIENT APPROXIMATION; THEORETICAL DENSITY;

CHARGE DENSITY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; SOLIDS;

SINGLE CRYSTALS;

EID: 84878010819     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-013-7301-1     Document Type: Article

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