Geometry optimizations with a small contracted gaussian basis set |
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| Authors: | Dieter Poppinger |
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| Affiliation: | Research School of Chemistry, Australian National University, Canberra, A.C.T. 2600, Australia |
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| Abstract: | The STO-2G basis set has been used to calculate equilibrium geometries of 27 molecules. A comparison with STO-3G and experimental results indicates that the exploration of potential energy surfaces of large organic molecules can be efficiently carried out using the STO-2G basis set. |
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