Article ID Journal Published Year Pages File Type
9578181 Chemical Physics Letters 2005 5 Pages PDF
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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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