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rdf:type
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Description
| - To confirm the behaviour of carbenes and their precursors based on chlorides selected molecular orbitals and electrostatic potential maps were calculated. Subsequently, geometry optimization at RHF and DFT level was performed. The calculations were extended by different DFT funtionals with 6-31G(d) basis set.
- To confirm the behaviour of carbenes and their precursors based on chlorides selected molecular orbitals and electrostatic potential maps were calculated. Subsequently, geometry optimization at RHF and DFT level was performed. The calculations were extended by different DFT funtionals with 6-31G(d) basis set. (en)
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Title
| - Molecular modelling - structure and properties of (un)saturated N-heterocyclic carbenes
- Molecular modelling - structure and properties of (un)saturated N-heterocyclic carbenes (en)
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skos:prefLabel
| - Molecular modelling - structure and properties of (un)saturated N-heterocyclic carbenes
- Molecular modelling - structure and properties of (un)saturated N-heterocyclic carbenes (en)
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skos:notation
| - RIV/00216305:26310/11:PU96407!RIV12-MSM-26310___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216305:26310/11:PU96407
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - electrostatic potential map, geometry optimization, RHF methods, DFT methods, infrared spectroscopy (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...ontrolniKodProRIV
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...UplatneniVysledku
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http://linked.open...iv/tvurceVysledku
| - Jančář, Josef
- Hermanová, Soňa
- Richtera, Lukáš
- Kulovaná, Eva
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http://linked.open...n/vavai/riv/zamer
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http://localhost/t...ganizacniJednotka
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