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Conformational energies of DNA sugar-phosphate backbone: Reference QM calculations and a comparison with density functional theory and molecular mechanics
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SYSNO 0356082 Title Conformational energies of DNA sugar-phosphate backbone: Reference QM calculations and a comparison with density functional theory and molecular mechanics Author(s) Mládek, Arnošt (BFU-R)
Šponer, Judit E. (BFU-R) RID, ORCID
Jurečka, P. (CZ)
Banáš, P. (CZ)
Otyepka, M. (CZ)
Svozil, D. (CZ)
Šponer, Jiří (BFU-R) RID, ORCIDSource Title Journal of Chemical Theory and Computation . Roč. 6, č. 12 (2010), s. 3817-3835. - : American Chemical Society Document Type Článek v odborném periodiku Grant IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR), CZ - Czech Republic GA203/09/1476 GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic GAP208/10/2302 GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic GD203/09/H046, CZ - Czech Republic LC06030, CZ - Czech Republic LC512, CZ - Czech Republic CEZ AV0Z50040507 - BFU-R (2005-2011) AV0Z50040702 - BFU-R (2007-2013) Language eng Country US Keywords intramolecular hydrogen-bonds * main-group thermochemistry * set superposition error Permanent Link http://hdl.handle.net/11104/0194699
Number of the records: 1