Energies and 2 ´-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Mladek, A; Banas, P; Jurecka, P; Otyepka, M; Zgarbova, M; Sponer, J, 2014: Energies and 2 ´-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10(1), p. 463 - 480, doi: 10.1021/ct400837p

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