Ab initio and diffusion Monte Carlo study of uracil-water, thymine-water, cytosine-water, and cytosine-(water)(2)
Optimized geometries, potential well depths, and harmonic zero-point energies of the uracil-water, thymine-water, cytosine-water, and cytosine- (water)2 weakly-bound molecules are computed using second-order Moller- Plesset perturbation theory and an interaction-optimized, singly-polarized double ze...
| Main Authors: | , , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2000
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