Title of article
Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures
Author/Authors
Morikawa، نويسنده , , Tetsuo and Narita، نويسنده , , Susumu and Klein، نويسنده , , Douglas J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
5
From page
554
To page
558
Abstract
A graph theoretical index, here called a long-bond index (or a generalized Pauling bond order), predicts well the degree of electric conductance for (carbon sheet and carbon cylinder-shaped) molecular nano-structures. Some results are compared with those by means of molecular-orbital-theoretic Green’s function methods. The present alternative method is based on long-bond (or excited) structure counting as suggested from valence bond resonance theoretic ideas.
Journal title
Chemical Physics Letters
Serial Year
2005
Journal title
Chemical Physics Letters
Record number
1914300
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