The C6H6-(H2O)(2) complex: Theoretical predictions of the structure, energetics, and tunneling dynamics
A detailed theoretical study of the C6H6-(H2O)2 complex is presented. We characterize the structure and energy by means of various potentials and correlated ab initia calculations. The potential surface is extremely flat but the structures obtained with the empirical potentials and ab initia optimiz...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1997
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