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rdf:type
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Description
| - Na určení rovnovážných vazebných délek a harmonických vibračních frekvencí S-2, NF, NS a jejich positivně a negativně nabitých iontů byl použit náročný přístup CCSD(T). Získané hodnoty energií byly extrapolovány k limitě CBS požitím korelačně konsistentní báze v rozsahu DZ až 5Z. Na této úrovni teorie byly dále určeny disociační energie. (cs)
- To determine ground state bond length and harmonic vibrational frequencies of S2, NF and NS as well as their negatively and positively charged ions, the sophisticated CCSD(T) approach was used. The obtained energies were extrapolated to CBS limit using correlation consistent basis set from DZ to 5Z extent. Furthermore, at this level of theory the dissociation energies were determined.
- To determine ground state bond length and harmonic vibrational frequencies of S2, NF and NS as well as their negatively and positively charged ions, the sophisticated CCSD(T) approach was used. The obtained energies were extrapolated to CBS limit using correlation consistent basis set from DZ to 5Z extent. Furthermore, at this level of theory the dissociation energies were determined. (en)
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Title
| - CCSD(T) calculations of equilibrium geometries and spectroscopic constants for the diatomics S-2, NF, NS, and their ions
- CCSD(T) calculations of equilibrium geometries and spectroscopic constants for the diatomics S-2, NF, NS, and their ions (en)
- CCSD(T) výpočet rovnovážných geometrií a spektroskopických konstant S-2, NF, NS a jejich iontů (cs)
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skos:prefLabel
| - CCSD(T) calculations of equilibrium geometries and spectroscopic constants for the diatomics S-2, NF, NS, and their ions
- CCSD(T) calculations of equilibrium geometries and spectroscopic constants for the diatomics S-2, NF, NS, and their ions (en)
- CCSD(T) výpočet rovnovážných geometrií a spektroskopických konstant S-2, NF, NS a jejich iontů (cs)
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skos:notation
| - RIV/00216305:26220/04:PU62899!RIV08-GA0-26220___
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA102/02/1414), P(KSK4050111), Z(AV0Z4050913)
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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/00216305:26220/04:PU62899
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - CCSD(T), harmonic frequencies, dissociation energies, diatomic molecules (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
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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
| - Czernek, Jiří
- Živný, Oldřich
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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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http://localhost/t...ganizacniJednotka
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