Density functional theory studies of quantum transport in molecular systems
Article first published online: 4 AUG 2006
Copyright © 2006 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology
Volume 106, Issue 15, pages 3334–3342, 2006
How to Cite
Meunier, V., Lu, W., Sumpter, B. G. and Bernholc, J. (2006), Density functional theory studies of quantum transport in molecular systems. Int. J. Quantum Chem., 106: 3334–3342. doi: 10.1002/qua.21197
- Issue published online: 26 SEP 2006
- Article first published online: 4 AUG 2006
- Manuscript Accepted: 21 JUN 2006
- Manuscript Received: 15 APR 2006
- Oak Ridge National Laboratory (Laboratory Directed Research and Development Program)
- U. S. Department of Energy (Center for Nanophase Materials Science, Division of Materials Science; UT-Battelle, LLC). Grant Numbers: DEAC05-00OR22725, DOE DE-FG02-98ER45685, ONR N000140610173
- DoD Supercomputing Centers
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