Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9578181 | Chemical Physics Letters | 2005 | 5 Pages |
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
Authors
Tetsuo Morikawa, Susumu Narita, Douglas J. Klein,