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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F04%3A00009915%21RIV08-MSM-14310___
rdf:type
n18:Vysledek skos:Concept
dcterms:description
Two different reaction mechanism of a mixed criss-cross cycloaddition with opposite sequence of reaction steps, intra-intermolecular and inter-intramolecular, were explored by quantum-chemical calculations at the MP2 and B3LYP levels of theory and with cc-pVDZ basis set. Kvantová studie mechanismu intra-intermoleculární cykloadice Two different reaction mechanism of a mixed criss-cross cycloaddition with opposite sequence of reaction steps, intra-intermolecular and inter-intramolecular, were explored by quantum-chemical calculations at the MP2 and B3LYP levels of theory and with cc-pVDZ basis set.
dcterms:title
Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition Kvantová studie mechanismu intra-intermolekulární cykloadice Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition
skos:prefLabel
Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition Kvantová studie mechanismu intra-intermolekulární cykloadice
skos:notation
RIV/00216224:14310/04:00009915!RIV08-MSM-14310___
n3:strany
231-241
n3:aktivita
n6:Z n6:P
n3:aktivity
P(LN00A016), Z(MSM 143100011)
n3:cisloPeriodika
1
n3:dodaniDat
n15:2008
n3:domaciTvurceVysledku
n8:2333368 n8:4347374 n8:3466272
n3:druhVysledku
n11:J
n3:duvernostUdaju
n7:S
n3:entitaPredkladatele
n17:predkladatel
n3:idSjednocenehoVysledku
583371
n3:idVysledku
RIV/00216224:14310/04:00009915
n3:jazykVysledku
n16:eng
n3:klicovaSlova
criss-cross cycloadditions; density functional theory; molecular modeling
n3:klicoveSlovo
n9:molecular%20modeling n9:criss-cross%20cycloadditions n9:density%20functional%20theory
n3:kodStatuVydavatele
CZ - Česká republika
n3:kontrolniKodProRIV
[3CC0A3759551]
n3:nazevZdroje
Collection of Czechoslovak Chemical Communications
n3:obor
n19:CC
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:projekt
n10:LN00A016
n3:rokUplatneniVysledku
n15:2004
n3:svazekPeriodika
69/2004
n3:tvurceVysledku
Koča, Jaroslav Potáček, Milan Kulhánek, Petr
n3:zamer
n13:MSM%20143100011
s:issn
0010-0765
s:numberOfPages
11
n14:organizacniJednotka
14310