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Statements

Subject Item
n2:RIV%2F00216305%3A26220%2F08%3APU77560%21RIV10-GA0-26220___
rdf:type
skos:Concept n14:Vysledek
dcterms:description
The MRCI/CBS computational protocol was employed to describe the low-lying electronic states of F3-. The 3B2 bound state was found to lie less than 1 eV above the ground state 1Sigma g +. The MRCI energy of the singlet-triplet energy gap was extrapolated to CBS limit. For the vertical transitions the dipole-allowed ones, the oscillator strengths and radiative lifetimes were predicted to aid in the spectroscopic studies. The MRCI/CBS computational protocol was employed to describe the low-lying electronic states of F3-. The 3B2 bound state was found to lie less than 1 eV above the ground state 1Sigma g +. The MRCI energy of the singlet-triplet energy gap was extrapolated to CBS limit. For the vertical transitions the dipole-allowed ones, the oscillator strengths and radiative lifetimes were predicted to aid in the spectroscopic studies.
dcterms:title
The Multiconfigurational-reference Internally Contracted Configuration Interaction/Complete Basis Set Study of the Excited States of the Trifluoride Anion F3- The Multiconfigurational-reference Internally Contracted Configuration Interaction/Complete Basis Set Study of the Excited States of the Trifluoride Anion F3-
skos:prefLabel
The Multiconfigurational-reference Internally Contracted Configuration Interaction/Complete Basis Set Study of the Excited States of the Trifluoride Anion F3- The Multiconfigurational-reference Internally Contracted Configuration Interaction/Complete Basis Set Study of the Excited States of the Trifluoride Anion F3-
skos:notation
RIV/00216305:26220/08:PU77560!RIV10-GA0-26220___
n3:aktivita
n10:P n10:Z
n3:aktivity
P(1ET400500402), P(GA102/06/1337), Z(AV0Z40500505)
n3:cisloPeriodika
19
n3:dodaniDat
n17:2010
n3:domaciTvurceVysledku
n18:1894056
n3:druhVysledku
n4:J
n3:duvernostUdaju
n15:S
n3:entitaPredkladatele
n7:predkladatel
n3:idSjednocenehoVysledku
381077
n3:idVysledku
RIV/00216305:26220/08:PU77560
n3:jazykVysledku
n5:eng
n3:klicovaSlova
Trifluoride anion, excited states, MRCI, CBS
n3:klicoveSlovo
n12:MRCI n12:CBS n12:Trifluoride%20anion n12:excited%20states
n3:kodStatuVydavatele
CZ - Česká republika
n3:kontrolniKodProRIV
[4336C8E2F1FA]
n3:nazevZdroje
The Journal of Chemical Physics
n3:obor
n19:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
2
n3:projekt
n11:1ET400500402 n11:GA102%2F06%2F1337
n3:rokUplatneniVysledku
n17:2008
n3:svazekPeriodika
129
n3:tvurceVysledku
Czernek, Jiří Živný, Oldřich
n3:zamer
n9:AV0Z40500505
s:issn
0021-9606
s:numberOfPages
4
n13:organizacniJednotka
26220