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Statements

Subject Item
n2:RIV%2F68081707%3A_____%2F11%3A00366151%21RIV12-AV0-68081707
rdf:type
n17:Vysledek skos:Concept
dcterms:description
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.
dcterms:title
On the geometry and electronic structure of the As-DNA backbone On the geometry and electronic structure of the As-DNA backbone
skos:prefLabel
On the geometry and electronic structure of the As-DNA backbone On the geometry and electronic structure of the As-DNA backbone
skos:notation
RIV/68081707:_____/11:00366151!RIV12-AV0-68081707
n17:predkladatel
n19:ico%3A68081707
n3:aktivita
n9:P n9:Z
n3:aktivity
P(GA203/09/1476), P(GAP208/10/2302), P(GAP208/11/1822), P(GD203/09/H046), P(IAA400040802), P(LC06030), Z(AV0Z50040507), Z(AV0Z50040702)
n3:cisloPeriodika
5
n3:dodaniDat
n5:2012
n3:domaciTvurceVysledku
n11:9739807 n11:3223779 n11:5279909
n3:druhVysledku
n4:J
n3:duvernostUdaju
n13:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
218214
n3:idVysledku
RIV/68081707:_____/11:00366151
n3:jazykVysledku
n20:eng
n3:klicovaSlova
quantum chemistry; DFT; backbone
n3:klicoveSlovo
n16:DFT n16:backbone n16:quantum%20chemistry
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[08B44C09BE9A]
n3:nazevZdroje
Journal of Physical Chemistry Letters
n3:obor
n12:BO
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
5
n3:projekt
n7:GA203%2F09%2F1476 n7:GAP208%2F11%2F1822 n7:GAP208%2F10%2F2302 n7:IAA400040802 n7:LC06030 n7:GD203%2F09%2FH046
n3:rokUplatneniVysledku
n5:2011
n3:svazekPeriodika
2
n3:tvurceVysledku
Sumpter, B. G. Fuentes-Cabrera, M. Mládek, Arnošt Šponer, Jiří Šponer, Judit E.
n3:wos
000288053900009
n3:zamer
n18:AV0Z50040702 n18:AV0Z50040507
s:issn
1948-7185
s:numberOfPages
4
n6:doi
10.1021/jz200015n