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rdf:type
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Description
| - The accuracy of the experimental structure, as well as that calculated at the MP2/ 962(d) level, has been gauged by comparison of the B-11 chemical shifts (calculated at two different gauge-including atomic orbitals (GIAO) levels) with experimental NMR values. The inclusion of electron correlation in the magnetic property calculations (GIAO-MP2) gave superior results to those carried out using GIAO-Hartree-Fock.
- The accuracy of the experimental structure, as well as that calculated at the MP2/ 962(d) level, has been gauged by comparison of the B-11 chemical shifts (calculated at two different gauge-including atomic orbitals (GIAO) levels) with experimental NMR values. The inclusion of electron correlation in the magnetic property calculations (GIAO-MP2) gave superior results to those carried out using GIAO-Hartree-Fock. (en)
- Přesnost experimentální struktury, právě tak jako vypočítaný v MP2/ 962(d) úrovni, byl zkušební přístroj srovnáním posunů B-11 chemikálií (vypočítaný včetně atomické orbitální (GIAO) úrovně) s experimentálními NMR hodnotami. (cs)
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Title
| - The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods
- Plynná fáze struktury 1-selen-kloso-dodekaborane(11), 1-SeB11H11, předurčený použitím elektronové difrakce a výpočtových metod (cs)
- The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods (en)
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skos:prefLabel
| - The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods
- Plynná fáze struktury 1-selen-kloso-dodekaborane(11), 1-SeB11H11, předurčený použitím elektronové difrakce a výpočtových metod (cs)
- The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods (en)
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skos:notation
| - RIV/61388980:_____/08:00319082!RIV09-AV0-61388980
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(LC523), Z(AV0Z40320502)
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http://linked.open...iv/cisloPeriodika
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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/61388980:_____/08:00319082
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - molecular-orbital methods; NMR chemical-shifts; valence basis.sets (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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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...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Holub, Josef
- Hnyk, Drahomír
- Rankin, D. W. H.
- Wann, D. A.
- Bühl, M.
- Robertson, H. E.
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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