About: The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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)
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)
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)
skos:notation	RIV/61388980:_____/08:00319082!RIV09-AV0-61388980
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC523), Z(AV0Z40320502)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Holub, Josef Hnyk, Drahomír
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav anorganické chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	368962
http://linked.open...ai/riv/idVysledku	RIV/61388980:_____/08:00319082
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	molecular-orbital methods; NMR chemical-shifts; valence basis.sets (en)
http://linked.open.../riv/klicoveSlovo	molecular-orbital methods NMR chemical-shifts valence basis.sets
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[D4B6D1902F24]
http://linked.open...i/riv/nazevZdroje	Dalton Transactions
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Perspective inorganic materials
http://linked.open...UplatneniVysledku	2008
http://linked.open...v/svazekPeriodika	-
http://linked.open...iv/tvurceVysledku	Holub, Josef Hnyk, Drahomír Rankin, D. W. H. Wann, D. A. Bühl, M. Robertson, H. E.
http://linked.open...ain/vavai/riv/wos	000251673200017
http://linked.open...n/vavai/riv/zamer	Design, syntéza a charakterizace klastrů, kompozitů, komplexů a dalších sloučenin na bázi anorganických látek; mechanismy a kinetika jejich interakcí
issn	1477-9226
number of pages	5 (xsd:int)
is http://linked.open...avai/riv/vysledek of	The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods The gas-phase structure of 1-selena-closo-dodecaborane(11), 1-SeB11H11, determined by the concerted use of electron diffraction and computational methods

Faceted Search & Find service v1.16.116 as of Feb 22 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of Feb 22 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 80 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software