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Molecular orbital calculations for the HF crystal |
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| Authors: | RW Crowe DP Santry |
| Institution: | Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1, Canada |
| Abstract: | CNDO based molecular orbital calculations are reported for solid HF and compared with results from a recent structural determination. It is found that theoretical structure is not in good agreement with that observed experimentally at 4 K. |
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