Inconsistencies in ab initio evaluations of non-additive contributions of DNA stacking energies
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DOI: 10.1016/j.chemphys.2019.110554
Abstract: Abstract We evaluated the non-additive contributions of the inter-molecular interactions in B-DNA stacking by using diffusion Monte Carlo methods with fixed node approximations (FNDMC). For some base-pair steps, we found that their non-additive contributions evaluated… read more here.
Keywords: non additivity; additive contributions; inconsistencies initio; non additive ... See more keywords