The ability of the Gaussian-2, Gaussian-3, Complete Basis Set–QB3, and Complete Basis Set–APNO model chemistries to model the geometries of small water clusters
Article first published online: 23 SEP 2004
Copyright © 2004 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 100, Issue 6, pages 1065–1070, 20 December 2004
How to Cite
Dunn, M. E., Pokon, E. K. and Shields, G. C. (2004), The ability of the Gaussian-2, Gaussian-3, Complete Basis Set–QB3, and Complete Basis Set–APNO model chemistries to model the geometries of small water clusters. Int. J. Quantum Chem., 100: 1065–1070. doi: 10.1002/qua.20251
- Issue published online: 5 OCT 2004
- Article first published online: 23 SEP 2004
- Manuscript Accepted: 19 MAY 2004
- Manuscript Received: 3 MAR 2004
- Petroleum Research Fund
- American Chemical Society
- Dreyfus Foundation
- Hamilton College
- NSF. Grant Number: CHE-0116435
- Merck/AAAS Undergraduate Summer Research Program
- Camille & Henry Dreyfus Foundation Scholar/Fellow program
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