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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F01%3A54010220%21RIV%2F2003%2FAV0%2FA54003%2FN
rdf:type
n7:Vysledek skos:Concept
dcterms:description
The interaction energies of 9-methyladenine...1-methylthymine H-bonded and 9-methyladenine...9-methylguanine stacked pairs were evaluated at the MP2 and resolution of the identity MP2 (RI-MP2) levels. The interaction energies are almost identical for both methods. The RI-MP2 method is about one order of magnitude faster than the exact MP2 method and, therefore, this method is well suited for the study of large models of biological importance. The interaction energies of 9-methyladenine...1-methylthymine H-bonded and 9-methyladenine...9-methylguanine stacked pairs were evaluated at the MP2 and resolution of the identity MP2 (RI-MP2) levels. The interaction energies are almost identical for both methods. The RI-MP2 method is about one order of magnitude faster than the exact MP2 method and, therefore, this method is well suited for the study of large models of biological importance.
dcterms:title
RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs. RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs.
skos:prefLabel
RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs. RI-MP2 Calculations with Extended Basis Sets - a Promising Tool for Study of H-bonded and Stacked DNA Base Pairs.
skos:notation
RIV/61388955:_____/01:54010220!RIV/2003/AV0/A54003/N
n3:strany
4578;4582
n3:aktivita
n17:P n17:Z
n3:aktivity
P(LN00A032), Z(AV0Z4040901)
n3:cisloPeriodika
20
n3:dodaniDat
n4:2003
n3:domaciTvurceVysledku
n8:3843912 n8:2932016 n8:1747681
n3:druhVysledku
n10:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
694776
n3:idVysledku
RIV/61388955:_____/01:54010220
n3:jazykVysledku
n11:eng
n3:klicovaSlova
RI-MP2 calculations; - hydrogen bonded and stacked DNA base pairs
n3:klicoveSlovo
n12:-%20hydrogen%20bonded%20and%20stacked%20DNA%20base%20pairs n12:RI-MP2%20calculations
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[9D34C6484544]
n3:nazevZdroje
Physical Chemistry Chemical Physics
n3:obor
n13:CH
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:projekt
n9:LN00A032
n3:rokUplatneniVysledku
n4:2001
n3:svazekPeriodika
3
n3:tvurceVysledku
Nachtigall, Petr Hobza, Pavel Jurečka, Petr
n3:zamer
n15:AV0Z4040901
s:issn
1463-9076
s:numberOfPages
5