Počet záznamů: 1
On the geometry and electronic structure of the As-DNA backbone
- 1.0366151 - BFÚ 2012 RIV US eng J - Článek v odborném periodiku
Mládek, Arnošt - Šponer, Jiří - Sumpter, B.G. - Fuentes-Cabrera, M. - Šponer, Judit E.
On the geometry and electronic structure of the As-DNA backbone.
Journal of Physical Chemistry Letters. Roč. 2, č. 5 (2011), s. 389-392. ISSN 1948-7185
Grant CEP: GA MŠMT(CZ) LC06030; GA AV ČR(CZ) IAA400040802; GA ČR(CZ) GAP208/10/2302; GA ČR(CZ) GA203/09/1476; GA ČR(CZ) GAP208/11/1822; GA ČR(CZ) GD203/09/H046
Výzkumný záměr: CEZ:AV0Z50040507; CEZ:AV0Z50040702
Klíčová slova: quantum chemistry * DFT * backbone
Kód oboru RIV: BO - Biofyzika
Impakt faktor: 6.213, rok: 2011
High-level quantum chemical calculations have been applied to investigate the geometry and electronic properties of the arsenate analogue of the DNA backbone. The optimized geometries as well as hyperconjugation effects along the C30-O30-X-O50-C50 linkage (X=P,As) exhibit a remarkable similarity for both arsenates and phosphates.
Trvalý link: http://hdl.handle.net/11104/0201226
Počet záznamů: 1