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Home Research Selected Publications Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory
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Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mladek, A; Krepl, M; Svozil, D; Cech, P; Otyepka, M; Banas, P; Zgarbova, M; Jurecka, P; Sponer, J, 2013: Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 15(19), p. 7295 - 7310, doi: 10.1039/c3cp44383c