Diffusion Monte Carlo simulations on uracil-water using an anisotropic atom-atom potential model.
We have developed an anisotropic atom-atom intermolecular potential model for the interaction of uracil with water. The potential consists of a distributed multipole analysis (DMA) model for the electrostatic energy, and a 6-exp potential to represent the repulsion-dispersion term. The repulsion-dis...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2001
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