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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F07%3A00086039%21RIV08-AV0-61388963
rdf:type
skos:Concept n9:Vysledek
dcterms:description
We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions. We present the mid-IR (400-1800 cm-1) spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine measured by IR-UV double-resonance spectroscopy. We compare the recorded mid-IR spectra with the spectra of the most stable structures obtained from RI-MP2 and RI-DFT-D calculations. The results confirm the enol form for all structures and demonstrate the efficacy of a new approach to DFT calculations that includes dispersion interactions. V práci jsou publikována experimentální a teoreticky spočtená spektra 9-ethyl guaninu, guanosinu a 2-deoxyguanosinu. V práci je demonstrována úspěšnost predikce spekter metodou RI-DFT-D.
dcterms:title
The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine IČ spektra 9-ethyl guanimu, guanosinu, 2-deoxyguanosinu
skos:prefLabel
The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine The Mid-IR spectra of 9-ethyl guanine, guanosine, and 2-deoxyguanosine IČ spektra 9-ethyl guanimu, guanosinu, 2-deoxyguanosinu
skos:notation
RIV/61388963:_____/07:00086039!RIV08-AV0-61388963
n3:strany
7529;7536
n3:aktivita
n6:Z n6:P
n3:aktivity
P(GA203/05/0009), P(LC512), Z(AV0Z40550506)
n3:cisloPeriodika
31
n3:dodaniDat
n12:2008
n3:domaciTvurceVysledku
n14:2932016 n14:1890646
n3:druhVysledku
n10:J
n3:duvernostUdaju
n4:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
433827
n3:idVysledku
RIV/61388963:_____/07:00086039
n3:jazykVysledku
n13:eng
n3:klicovaSlova
IR spectrum; guanine; deoxyguanosine
n3:klicoveSlovo
n5:deoxyguanosine n5:guanine n5:IR%20spectrum
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[714A51E6E635]
n3:nazevZdroje
Journal of Physical Chemistry A
n3:obor
n15:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
9
n3:projekt
n18:GA203%2F05%2F0009 n18:LC512
n3:rokUplatneniVysledku
n12:2007
n3:svazekPeriodika
111
n3:tvurceVysledku
Meijer, G. Crews, B. O. Von Helden, G. Compagnon, I. de Vries, M. S. Oomens, J. Kabeláč, Martin Abo-Riziq, A. Hobza, Pavel
n3:zamer
n11:AV0Z40550506
s:issn
1089-5639
s:numberOfPages
8