The ZnO2+ dication in the gas phase
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F13%3A10131034" target="_blank" >RIV/00216208:11310/13:10131034 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/13:00388829
Result on the web
<a href="http://dx.doi.org/10.1016/j.cplett.2012.09.059" target="_blank" >http://dx.doi.org/10.1016/j.cplett.2012.09.059</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cplett.2012.09.059" target="_blank" >10.1016/j.cplett.2012.09.059</a>
Alternative languages
Result language
angličtina
Original language name
The ZnO2+ dication in the gas phase
Original language description
Our high-level ab initio calculations show that the ZnO2+ electronic ground state of 3?MINUS SIGN symmetry is metastable with a bond length of 2.066 ?, an effective dissociation energy of 1.42 eV, and a double ionization energy of ZnO of 26.61 eV. Spectroscopic constants, adiabatic excitation energies, tunneling and spin-orbit induced predissociation lifetimes for the vibrational levels in the low-lying electronic states of ZnO2+ were determined and the metastability of the dication was discussed. For the lower electronic states of ZnOn+ (n = 0, 1, 2) species, the spectroscopic characteristics of the ?-S states were calculated and the double ionization spectrum of ZnO was simulated.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Physics Letters
ISSN
0009-2614
e-ISSN
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Volume of the periodical
558
Issue of the periodical within the volume
FEB 2013
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
7
Pages from-to
8-14
UT code for WoS article
000314660600002
EID of the result in the Scopus database
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