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• W2041620704 abstract "Major components of the interaction energy that define several approximate levels starting from second order Möller-Plesset theory were studied for 58 stacked nucleic acid dimers. They included typical B-DNA and A-DNA structures, and selected published geometries. A survey of the various terms yields an unexpected correlation between the Pauli exchange and dispersion or correlation terms, which holds for each class of similar planar geometries and for various basis sets. The geometries that exhibit these correlations span a specific range of molecular overlaps when compared to a model benzene-pyridine stacked dimer. Also, the relationship between electrostatic interactions and MP2 stabilization energies reported earlier is confirmed and a prediction interval of practical relevance is estimated." @default.
• W2041620704 created "2016-06-24" @default.
• W2041620704 creator A5026733952 @default.
• W2041620704 creator A5056916120 @default.
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• W2041620704 date "2007-09-18" @default.
• W2041620704 modified "2023-10-17" @default.
• W2041620704 title "Intriguing relations of interaction energy components in stacked nucleic acids" @default.
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• W2041620704 doi "https://doi.org/10.1063/1.2786983" @default.
• W2041620704 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17887817" @default.
• W2041620704 hasPublicationYear "2007" @default.
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