Characterization of a candidate multi-pole molecular switch using computational techniques

Journal of Molecular Modeling

Volumn 14, Issue 11, 2008, Pages 1023-1033

  Farmanzadeh, Davood ^a   Sabzyan, Hassan ^a  

^a UNIVERSITY OF ISFAHAN   (Iran)

Author keywords

B3LYP; Charge distribution; Molecular switch; Nano electronics; Nano switch; Spin density

Indexed keywords

ORGANIC COMPOUND;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BOND; COMPUTER ANALYSIS; CONTROLLED STUDY; DIPOLE; ELECTRIC FIELD; ELECTRON TRANSPORT; MATHEMATICAL COMPUTING; MOLECULAR ELECTRONICS; NANOANALYSIS; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

AZO COMPOUNDS; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; ELECTROCHEMISTRY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NANOTECHNOLOGY; QUANTUM THEORY;

EID: 54849177800     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0345-5     Document Type: Article

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