Diffusion Monte Carlo simulations of methanol-water clusters
We report the ground-state properties of several partially deuterated CH3OH[H2O]n (n=1, 2) clusters calculated with the rigid-body diffusion Monte Carlo method. The dimer has two distinct isomers with methanol-donor or water-donor structures. The dimer complex was found to prefer a water-donor struc...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1999
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