Clark, Timothy ; Chandrasekhar, Jayaraman ; Spitznagel, Günther W. ; Schleyer, Paul Von Rague (1993) Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F Journal of Computational Chemistry, 4 (3). pp. 294-301. ISSN 0192-8651
Full text not available from this repository.
Official URL: http://www3.interscience.wiley.com/journal/1095836...
Related URL: http://dx.doi.org/10.1002/jcc.540040303
Abstract
The relatively small diffuse function-augmented basis set, 3-21+G, is shown to describe anion geometries and proton affinities adequately. The diffuse sp orbital exponents are recommended for general use to augment larger basis sets.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
| ID Code: | 7092 |
| Deposited On: | 25 Oct 2010 12:37 |
| Last Modified: | 05 Feb 2011 08:11 |
Repository Staff Only: item control page
