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  • 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.
  • 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. (en)
Title
  • On the geometry and electronic structure of the As-DNA backbone
  • On the geometry and electronic structure of the As-DNA backbone (en)
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  • On the geometry and electronic structure of the As-DNA backbone
  • On the geometry and electronic structure of the As-DNA backbone (en)
skos:notation
  • RIV/68081707:_____/11:00366151!RIV12-AV0-68081707
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  • P(GA203/09/1476), P(GAP208/10/2302), P(GAP208/11/1822), P(GD203/09/H046), P(IAA400040802), P(LC06030), Z(AV0Z50040507), Z(AV0Z50040702)
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  • 5
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  • 218214
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  • RIV/68081707:_____/11:00366151
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  • quantum chemistry; DFT; backbone (en)
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  • US - Spojené státy americké
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  • [08B44C09BE9A]
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  • Journal of Physical Chemistry Letters
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  • 2
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  • Šponer, Jiří
  • Šponer, Judit E.
  • Fuentes-Cabrera, M.
  • Mládek, Arnošt
  • Sumpter, B. G.
http://linked.open...ain/vavai/riv/wos
  • 000288053900009
http://linked.open...n/vavai/riv/zamer
issn
  • 1948-7185
number of pages
http://bibframe.org/vocab/doi
  • 10.1021/jz200015n
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