About: Hydrolysis of (un)saturated N-heterocyclic carbenes     Goto   Sponge   NotDistinct   Permalink

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  • 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.
  • 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. (en)
Title
  • Hydrolysis of (un)saturated N-heterocyclic carbenes
  • Hydrolysis of (un)saturated N-heterocyclic carbenes (en)
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  • Hydrolysis of (un)saturated N-heterocyclic carbenes
  • Hydrolysis of (un)saturated N-heterocyclic carbenes (en)
skos:notation
  • RIV/00216305:26310/11:PU96406!RIV12-MSM-26310___
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  • Z(MSM0021630501)
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  • 203144
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  • RIV/00216305:26310/11:PU96406
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  • RHF methods, DFT methods, infrared spectroscopy, isomers (en)
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  • [3820148B81EA]
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  • Jančář, Josef
  • Hermanová, Soňa
  • Richtera, Lukáš
  • Kulovaná, Eva
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  • 26310
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