About: Statistical properties of the energies and electric dipole moments of the bound vibrational states of the system HCO+/COH+

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. (en)
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+ (en)
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+ (en)
skos:notation	RIV/61388963:_____/10:00351554!RIV11-MSM-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA400550511), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	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	289953
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/10:00351554
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	potential energy and electric dipole; density of states and nearest-neighbor level; spacing distributions (en)
http://linked.open.../riv/klicoveSlovo	density of states and nearest-neighbor level potential energy and electric dipole spacing distributions
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[57D32CD48AB1]
http://linked.open...i/riv/nazevZdroje	Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Density and Statistical Properties of Molecular Levels
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	373
http://linked.open...iv/tvurceVysledku	Špirko, Vladimír Kraemer, W. P.
http://linked.open...ain/vavai/riv/wos	000280580800003
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0301-0104
number of pages	11 (xsd:int)
is http://linked.open...avai/riv/vysledek of	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+ Statistical properties of the energies and electric dipole moments of the bound vibrational states of the system HCO+/COH+

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