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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F10%3A00351554%21RIV11-MSM-61388963
rdf:type
skos:Concept n15:Vysledek
dcterms:description
From the ab initio calculated three-dimensional adiabatic double-minimum potential energy surface of the HCO+/COH+ system and the corresponding dipole moment surface the energies of all bound vibrational states and their effective dipole moments are determined applying the Suttcliffe–Tennyson Hamiltonian for triatomic molecules. The energy and dipole data are analysed in terms of statistical methods such as the density of states approach and the nearest-neighbor level spacing distribution (NNSD). Special effort is put into investigating the effect of the tunnelling motion across the isomerization barrier on the NNSD representations. From the ab initio calculated three-dimensional adiabatic double-minimum potential energy surface of the HCO+/COH+ system and the corresponding dipole moment surface the energies of all bound vibrational states and their effective dipole moments are determined applying the Suttcliffe–Tennyson Hamiltonian for triatomic molecules. The energy and dipole data are analysed in terms of statistical methods such as the density of states approach and the nearest-neighbor level spacing distribution (NNSD). Special effort is put into investigating the effect of the tunnelling motion across the isomerization barrier on the NNSD representations.
dcterms:title
Statistical properties of the energies and electric dipole moments of the bound vibrational states of the system HCO+/COH+ Statistical properties of the energies and electric dipole moments of the bound vibrational states of the system HCO+/COH+
skos:prefLabel
Statistical properties of the energies and electric dipole moments of the bound vibrational states of the system HCO+/COH+ Statistical properties of the energies and electric dipole moments of the bound vibrational states of the system HCO+/COH+
skos:notation
RIV/61388963:_____/10:00351554!RIV11-MSM-61388963
n3:aktivita
n10:Z n10:P
n3:aktivity
P(IAA400550511), P(LC512), Z(AV0Z40550506)
n3:cisloPeriodika
3
n3:dodaniDat
n4:2011
n3:domaciTvurceVysledku
n14:5865875
n3:druhVysledku
n12:J
n3:duvernostUdaju
n11:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
289953
n3:idVysledku
RIV/61388963:_____/10:00351554
n3:jazykVysledku
n17:eng
n3:klicovaSlova
potential energy and electric dipole; density of states and nearest-neighbor level; spacing distributions
n3:klicoveSlovo
n5:potential%20energy%20and%20electric%20dipole n5:density%20of%20states%20and%20nearest-neighbor%20level n5:spacing%20distributions
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[57D32CD48AB1]
n3:nazevZdroje
Chemical Physics
n3:obor
n6:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
2
n3:projekt
n16:LC512 n16:IAA400550511
n3:rokUplatneniVysledku
n4:2010
n3:svazekPeriodika
373
n3:tvurceVysledku
Kraemer, W. P. Špirko, Vladimír
n3:wos
000280580800003
n3:zamer
n7:AV0Z40550506
s:issn
0301-0104
s:numberOfPages
11