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rdf:type
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Description
| - Unlike in the case of the benzene dimer, where the T-shaped complex is the global minimum, the lowest energy T-shaped structure is about 0.2 and 1.6 kcal/mol above the global minimum on the benzene–naphthalene and naphthalene dimer potential energy surfaces, respectively.
- Unlike in the case of the benzene dimer, where the T-shaped complex is the global minimum, the lowest energy T-shaped structure is about 0.2 and 1.6 kcal/mol above the global minimum on the benzene–naphthalene and naphthalene dimer potential energy surfaces, respectively. (en)
- Na rozdíl od diméru benzene, ve kterém je T-struktura globálním minimem, v diméru benzén-naftalen je T-struktura o 0,2 kcal/mol méně stabilní než PD-struktura a v diméru naftalen-naftalen je T-struktura o 1,6 kcal/mol méně stabilné než PD struktura. (cs)
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Title
| - Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme
- Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme (en)
- Studium hyperplochy potenciální energie dimérů benzen-naftalen a naftalen-naftalen: DFT/CCSD(T) korekční schéma (cs)
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skos:prefLabel
| - Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme
- Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme (en)
- Studium hyperplochy potenciální energie dimérů benzen-naftalen a naftalen-naftalen: DFT/CCSD(T) korekční schéma (cs)
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skos:notation
| - RIV/61388963:_____/08:00315936!RIV09-AV0-61388963
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(IAA400550613), P(LC512), Z(AV0Z40550506)
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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/61388963:_____/08:00315936
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - density functional calculations; dispersion interaction; aromatic molecules (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - DE - Spolková republika Německo
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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
| - Bludský, Ota
- Nachtigall, Petr
- Rubeš, Miroslav
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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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