Detail publikačního výsledku
Hydrolysis of (un)saturated N-heterocyclic carbenes
KULOVANÁ, E.; RICHTERA, L.; HERMANOVÁ, S.; JANČÁŘ, J.
Originální název
Hydrolysis of (un)saturated N-heterocyclic carbenes
Anglický název
Hydrolysis of (un)saturated N-heterocyclic carbenes
Druh
Abstrakt
Originální abstrakt
The prediction of the structures of possible N-heterocyclic carbenes hydrolysis products was performed. All structures were optimized at RHF and at DFT level with B3LYP, O3LYP and B3PW91 functional. Infrared intensities at RHF and DFT level were calculated from optimized structures.
Anglický abstrakt
The prediction of the structures of possible N-heterocyclic carbenes hydrolysis products was performed. All structures were optimized at RHF and at DFT level with B3LYP, O3LYP and B3PW91 functional. Infrared intensities at RHF and DFT level were calculated from optimized structures.
Klíčová slova
RHF methods, DFT methods, infrared spectroscopy, isomers
Klíčová slova v angličtině
RHF methods, DFT methods, infrared spectroscopy, isomers
Autoři
KULOVANÁ, E.; RICHTERA, L.; HERMANOVÁ, S.; JANČÁŘ, J.
Rok RIV
2012
Vydáno
17.08.2011
Nakladatel
Česká společnost chemická
Místo
Praha
ISSN
0009-2770
Periodikum
CHEMICKE LISTY
Svazek
105
Číslo
18
Stát
Česká republika
Strany od
s948
Strany do
s949
Strany počet
1