Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints
Article first published online: 20 MAR 2003
Copyright © 2003 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 24, Issue 6, pages 760–769, 30 April 2003
How to Cite
Vreven, T., Morokuma, K., Farkas, Ö., Schlegel, H. B. and Frisch, M. J. (2003), Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. J. Comput. Chem., 24: 760–769. doi: 10.1002/jcc.10156
- Issue published online: 20 MAR 2003
- Article first published online: 20 MAR 2003
- Manuscript Accepted: 25 JUN 2002
- Manuscript Received: 16 OCT 2001
- Gaussian, Inc.
- National Science Foundation. Grant Numbers: CHE-9627775, CHE-9874005
- Hungarian Research Foundation. Grant Number: OTKA D-29446
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