Title of article
Electrical rectification through cumulenic bridge: a computational study
Author/Authors
Sitha، نويسنده , , Sanyasi and Bhanuprakash، نويسنده , , K. and Choudary، نويسنده , , B.M.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2005
Pages
9
From page
227
To page
235
Abstract
Frontier molecular orbital analysis for the electrical rectification behavior of some donor–acceptor cumulenes has been carried out at B3LYP/6–31G** level of theory and the potential drop (PD) which is a measure of rectification behavior of the molecular
Keywords
Rectifier , Cumulenes , molecular electronics , HOMO–LUMO gap (HLG) , Potential drop (PD) , conductor
Journal title
Synthetic Metals
Serial Year
2005
Journal title
Synthetic Metals
Record number
2081108
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