About: A theoretical study of the MgNC/MgCN isomerization in the electronic ground state

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About: A theoretical study of the MgNC/MgCN isomerization in the electronic ground state Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	MgNC/MgCN izomerizační proces v základním X 2SIGMA+ elektronickém stavu byl zkoumán pomocí ACPF metody. Získané povrchy potenciální energie a dipólového momentu byly použity k výpočtům rotačně-vibračních energií a tranzitních momentů pro přechody do 2150 cm-1 nad základním vibračním stavem. Diskutována je rovněž možnost optického řízení izomerizačního procesu STIRAP technikou (cs) The MgNC/MgCN isomerization process in the X2SIGMA+ electronic ground state has been investigated by means of the ACPF(core-valence) method. The ACPF potential energy and dipole moment surfaces have been used for calculating ro-vibration energies and transition moments for states up to about 2150 cm-1 above the vibrational ground state. The prospect of implementing the successive stimulated Raman adiabatic passage (STIRAP) method for optically controlling the MgNC/MgCN isomerization is discussed The MgNC/MgCN isomerization process in the X2SIGMA+ electronic ground state has been investigated by means of the ACPF(core-valence) method. The ACPF potential energy and dipole moment surfaces have been used for calculating ro-vibration energies and transition moments for states up to about 2150 cm-1 above the vibrational ground state. The prospect of implementing the successive stimulated Raman adiabatic passage (STIRAP) method for optically controlling the MgNC/MgCN isomerization is discussed (en)
Title	A theoretical study of the MgNC/MgCN isomerization in the electronic ground state A theoretical study of the MgNC/MgCN isomerization in the electronic ground state (en) Teoretické studium MgNC/MgCN izomerizace v základním elektronickém stavu (cs)
skos:prefLabel	A theoretical study of the MgNC/MgCN isomerization in the electronic ground state A theoretical study of the MgNC/MgCN isomerization in the electronic ground state (en) Teoretické studium MgNC/MgCN izomerizace v základním elektronickém stavu (cs)
skos:notation	RIV/61388963:_____/04:00100886!RIV/2005/MSM/A57005/N
http://linked.open.../vavai/riv/strany	219;226
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LN00A032), Z(AV0Z4055905)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Bludský, Ota Špirko, Vladimír
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 organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	553243
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/04:00100886
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	isomerization;electronic ground state;STIRAP (en)
http://linked.open.../riv/klicoveSlovo	isomerization STIRAP electronic ground state
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[D1EF736CADC2]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Structure
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	695/696
http://linked.open...iv/tvurceVysledku	Bludský, Ota Špirko, Vladimír Jensen, P. Hirano, T. Odaka, T. E.
http://linked.open...n/vavai/riv/zamer	Chemical principles of selected biological phenomena in medicine and ecology
issn	0022-2860
number of pages	8 (xsd:int)

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