Diffusion Monte Carlo simulations on uracil-water using an anisotropic atom-atom potential model.

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...

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Bibliographic Details
Main Authors:	van Mourik, T, Price, S, Clary, D
Format:	Journal article
Language:	English
Published:	2001

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