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Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09
Article first published online: 1 MAR 2013
DOI: 10.1002/jcc.23263
Copyright © 2013 Wiley Periodicals, Inc.
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How to Cite
Remya, K. and Suresh, C. H. (2013), Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09. J. Comput. Chem., 34: 1341–1353. doi: 10.1002/jcc.23263
Publication History
- Issue published online: 25 APR 2013
- Article first published online: 1 MAR 2013
- Manuscript Accepted: 4 FEB 2013
- Manuscript Revised: 15 JAN 2013
- Manuscript Received: 1 NOV 2012
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| Filename | Format | Size | Description |
|---|---|---|---|
| JCC_23263_sm_SuppInfo.docx | 370K | Supporting Information |
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