Publication
Title
Molecular conductance in relation to inverse transport theory and to chemical bond order
Author
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. (C) 2011 Wiley Periodicals, Inc. Int J Quantum Chem 112: 99-102, 2012
Language
English
Source (journal)
International journal of quantum chemistry. - New York, N.Y.
Publication
New York, N.Y. : 2012
ISSN
0020-7608
Volume/pages
112:1(2012), p. 99-102
ISI
000304405800011
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.07.2012
Last edited 30.11.2017
To cite this reference