Computing vibrational properties in hydrogen-bonded systems using quantum wavepacket ab initio molecular dynamics
Article first published online: 26 AUG 2009
Copyright © 2009 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 109, Issue 15, pages 3798–3810, December 2009
How to Cite
Iyengar, S. S. (2009), Computing vibrational properties in hydrogen-bonded systems using quantum wavepacket ab initio molecular dynamics. Int. J. Quantum Chem., 109: 3798–3810. doi: 10.1002/qua.22417
- Issue published online: 25 SEP 2009
- Article first published online: 26 AUG 2009
- Manuscript Accepted: 6 JUL 2009
- Manuscript Received: 29 MAY 2009
- National Science Foundation. Grant Number: CHE-0750326
- The Arnold and Mabel Beckman Foundation
- The Camille and Henry Dreyfuss foundation
- The American Chemical Society Petroleum Research Fund
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