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Statements

Subject Item
n2:RIV%2F68081707%3A_____%2F09%3A00329620%21RIV10-AV0-68081707
rdf:type
n14:Vysledek skos:Concept
dcterms:description
The (3)J/(C8-H1'), (3)J(C4-H1'), (1)J/(C8-H8), (1)J(C1'-H1'), (1)J(C2'-H2'), and (1)J(C2'-H2'2) indirect scalar coupling constants were calculated with the density functional theory in the deoxyguanosine and riboguanosine molecules. The following geometry descriptors were considered in analysis of the structural dependence of the six J couplings: the glycosidic torsion angle chi and conformation of the hydroxymethyl group at the C4' carbon of sugar mimicking the backbone residue and the sugar pucker (C2'-, C3'-endo). The (3)J/(C8-H1'), (3)J(C4-H1'), (1)J/(C8-H8), (1)J(C1'-H1'), (1)J(C2'-H2'), and (1)J(C2'-H2'2) indirect scalar coupling constants were calculated with the density functional theory in the deoxyguanosine and riboguanosine molecules. The following geometry descriptors were considered in analysis of the structural dependence of the six J couplings: the glycosidic torsion angle chi and conformation of the hydroxymethyl group at the C4' carbon of sugar mimicking the backbone residue and the sugar pucker (C2'-, C3'-endo).
dcterms:title
Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Paging Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Paging
skos:prefLabel
Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Paging Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Paging
skos:notation
RIV/68081707:_____/09:00329620!RIV10-AV0-68081707
n4:aktivita
n8:Z n8:P
n4:aktivity
P(IAA400550701), Z(AV0Z40550506), Z(AV0Z50040702)
n4:cisloPeriodika
29
n4:dodaniDat
n5:2010
n4:domaciTvurceVysledku
n12:3223779
n4:druhVysledku
n13:J
n4:duvernostUdaju
n11:S
n4:entitaPredkladatele
n10:predkladatel
n4:idSjednocenehoVysledku
344150
n4:idVysledku
RIV/68081707:_____/09:00329620
n4:jazykVysledku
n17:eng
n4:klicovaSlova
guanosin; DFT; J-coupling
n4:klicoveSlovo
n6:DFT n6:guanosin n6:J-coupling
n4:kodStatuVydavatele
US - Spojené státy americké
n4:kontrolniKodProRIV
[C9A5A905D7C3]
n4:nazevZdroje
Journal of Physical Chemistry A
n4:obor
n16:CF
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
4
n4:projekt
n18:IAA400550701
n4:rokUplatneniVysledku
n5:2009
n4:svazekPeriodika
113
n4:tvurceVysledku
Vokáčová, Zuzana Sychrovský, Vladimír Bickelhaupt, F. M. Šponer, Jiří
n4:wos
000268139400030
n4:zamer
n9:AV0Z50040702 n9:AV0Z40550506
s:issn
1089-5639
s:numberOfPages
8