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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F07%3A00085715%21RIV08-AV0-61388963
rdf:type
skos:Concept n17:Vysledek
dcterms:description
Metodami MP2 a B3LYP byly studovány komplexy mezi kyselinou mravenčí a různými protonovými donory. Complexes between formic acid or formate anion and various proton donors (HF, H2O, NH3, and CH4) are studied by the MP2 and B3LYP methods with the 6-311++G(3df,3pd) basis set. Complexes between formic acid or formate anion and various proton donors (HF, H2O, NH3, and CH4) are studied by the MP2 and B3LYP methods with the 6-311++G(3df,3pd) basis set.
dcterms:title
On the origin of red and blue shifts of X – H and C – H stretching vibrationsin formic acid (formate ion) and proton donor complexes Původ červeného a modrého posunu v X –H a C – H vazebných vibracích v kyselině mravenčí a proton donorových komplexech On the origin of red and blue shifts of X – H and C – H stretching vibrationsin formic acid (formate ion) and proton donor complexes
skos:prefLabel
On the origin of red and blue shifts of X – H and C – H stretching vibrationsin formic acid (formate ion) and proton donor complexes Původ červeného a modrého posunu v X –H a C – H vazebných vibracích v kyselině mravenčí a proton donorových komplexech On the origin of red and blue shifts of X – H and C – H stretching vibrationsin formic acid (formate ion) and proton donor complexes
skos:notation
RIV/61388963:_____/07:00085715!RIV08-AV0-61388963
n4:strany
87;92
n4:aktivita
n11:Z n11:P
n4:aktivity
P(GA203/05/0009), P(LC512), Z(AV0Z40550506)
n4:cisloPeriodika
8
n4:dodaniDat
n7:2008
n4:domaciTvurceVysledku
n8:2932016
n4:druhVysledku
n15:J
n4:duvernostUdaju
n10:S
n4:entitaPredkladatele
n6:predkladatel
n4:idSjednocenehoVysledku
439410
n4:idVysledku
RIV/61388963:_____/07:00085715
n4:jazykVysledku
n5:eng
n4:klicovaSlova
ab initio calculations; electron transfer; hydrogen bonds
n4:klicoveSlovo
n14:ab%20initio%20calculations n14:electron%20transfer n14:hydrogen%20bonds
n4:kodStatuVydavatele
DE - Spolková republika Německo
n4:kontrolniKodProRIV
[B520E56AEF68]
n4:nazevZdroje
ChemPhysChem
n4:obor
n18:CF
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
3
n4:projekt
n9:GA203%2F05%2F0009 n9:LC512
n4:rokUplatneniVysledku
n7:2007
n4:svazekPeriodika
-
n4:tvurceVysledku
Galembeck, S. E. Tame Parreira, R. L. Hobza, Pavel
n4:zamer
n16:AV0Z40550506
s:issn
1439-4235
s:numberOfPages
6