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

Arnošt Mládek, Miroslav Krepl, Daniel Svozil, Petr Čech, Michal Otyepka, Pavel Banáš, Marie Zgarbová, Petr Jurečka, Jiří Šponer
  • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c3cp44383c