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The most stable CNDO/2 water dimer |
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| Authors: | Walter Thiel |
| Affiliation: | 1. Fachbereich Physikalische Chemie der Philipps Universit?t, Auf den Lahnbergen, D-3550, Marburg (Lahn), Federal Republic of Germany |
| Abstract: | The most stable CNDO/2 water dimer is a planarC 2h species with a partial O-O bond. STO-3G calculations indicate that the stability of this structure is due to an artifact of the CNDO/2 method. |
| Keywords: | Hydrogen bonding Water dimer |
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