About: UV-Visible Absorption Spectra of [Ru(E)(E')(CO) 2 (iPr-DAB)](E=E'=SnPh 3 or Cl; E=SnPh 3 or Cl, E'=CH 3 ; iPr-DAB=N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations.

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About: UV-Visible Absorption Spectra of [Ru(E)(E')(CO) 2 (iPr-DAB)](E=E'=SnPh 3 or Cl; E=SnPh 3 or Cl, E'=CH 3 ; iPr-DAB=N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The UV-visible absorption spectra of [Ru(E)(É)(CO)2(iPr-DAB)] (E=É=SnPh3 or Cl; E=SnPh3 or Cl, É=CH3; iPr-DAB=N,N'-di-isopropyl-1,4-diaza-1,3-butadiene) are investigated using CASSCF/CASPT2 and TD-DFT calculations on the model complexes [Ru(E)(É)(CO)2(Me-DAB)] (E=É=SnH3 or Cl; E=SnH3 or Cl, É=CH3; Me-DAB=N,N'-di-methyl-1,4-diaza-1,3-butadiene. The UV-visible absorption spectra of [Ru(E)(É)(CO)2(iPr-DAB)] (E=É=SnPh3 or Cl; E=SnPh3 or Cl, É=CH3; iPr-DAB=N,N'-di-isopropyl-1,4-diaza-1,3-butadiene) are investigated using CASSCF/CASPT2 and TD-DFT calculations on the model complexes [Ru(E)(É)(CO)2(Me-DAB)] (E=É=SnH3 or Cl; E=SnH3 or Cl, É=CH3; Me-DAB=N,N'-di-methyl-1,4-diaza-1,3-butadiene. (en)
Title	UV-Visible Absorption Spectra of [Ru(E)(E')(CO) 2 (iPr-DAB)](E=E'=SnPh 3 or Cl; E=SnPh 3 or Cl, E'=CH 3 ; iPr-DAB=N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations. UV-Visible Absorption Spectra of [Ru(E)(E')(CO) 2 (iPr-DAB)](E=E'=SnPh 3 or Cl; E=SnPh 3 or Cl, E'=CH 3 ; iPr-DAB=N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations. (en)
skos:prefLabel	UV-Visible Absorption Spectra of [Ru(E)(E')(CO) 2 (iPr-DAB)](E=E'=SnPh 3 or Cl; E=SnPh 3 or Cl, E'=CH 3 ; iPr-DAB=N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations. UV-Visible Absorption Spectra of [Ru(E)(E')(CO) 2 (iPr-DAB)](E=E'=SnPh 3 or Cl; E=SnPh 3 or Cl, E'=CH 3 ; iPr-DAB=N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): Combination of CASSCF/CASPT2 and TD-DFT Calculations. (en)
skos:notation	RIV/61388955:_____/01:54010191!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany	11431;11440
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(OC D14.20), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	46
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Záliš, Stanislav Vlček jr., Antonín
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 fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	699954
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/01:54010191
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	diimine complexes; - UV-Vis spectra; - CASSCF/CASPT2 and TD-DFT calculations (en)
http://linked.open.../riv/klicoveSlovo	- CASSCF/CASPT2 and TD-DFT calculations - UV-Vis spectra diimine complexes
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[49DD4DA884C0]
http://linked.open...i/riv/nazevZdroje	Journal of the American Chemical Society
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20D14.20
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	123
http://linked.open...iv/tvurceVysledku	Záliš, Stanislav Vlček jr., Antonín Stufkens, D. J. Daniel, Ch. Slageren van, J. Turki, M.
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	0002-7863
number of pages	10 (xsd:int)

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