Molecular Conductance in Relation to Inverse Transport Theory and to Chemical Bond Order Conference Paper

abstract

• McCaskill and March (MM) have derived a resistivity theory in the form of a quotient, the numerator of which is a force-force correlation function. The denominator has the form 1 - b, where MM forge a link between the quantity b and bound states. Evidently, as b tends to unity, one approaches a metal-insulator transition, which has potential relevance for molecular conductance. In addition, Klein was involved in early work in this area, in which contact is established with chemical bond order. Practical examples of this are discussed in this article. 2011 Wiley Periodicals, Inc.

authors

• Klein, Douglas

published proceedings

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

altmetric score

• 4.2

author list (cited authors)

• Klein, D. J., & March, N. H.

citation count

• 0

complete list of authors

• Klein, DJ||March, NH

publication date

• July 2012

publisher

• Wiley  Publisher

published in

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY  Journal

keywords

• Bond Order
• Inverse Transport
• Molecular Electronics

Digital Object Identifier (DOI)

• 10.1002/qua.23159

start page

• 99

end page

• 102

volume

• 112

issue

• 1