0181262 - UFCH-W 20010178 RIV GB eng J - Článek v odborném periodiku
Burda, J. V. - Šponer, Jiří - Leszczynski, J.
The Influence of Square Planar Platinum Complexes on DNA Bases Pairing. An ab initio DFT Study.
Physical Chemistry Chemical Physics. Roč. 3, č. 19 (2001), s. 4404-4411. ISSN 1463-9076. E-ISSN 1463-9084
Grant CEP: GA MŠMT LN00A032
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: DNA base pairing * platinated base pairs * ab initio DFT study
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.787, rok: 2001

The energetics and structures of GC and AT Watson-Crick base pairs metalated by the square planar platinum adducts have been investigated using B3LYP DFT and MP2 approach. The results are in agreement with recent solution experiments on platinated base pairs.
Trvalý link: http://hdl.handle.net/11104/0077845