Some Remarks on the Stability of the Ground and Excited Electronic States of the CF 2 ++ Dication.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F01%3A54010066" target="_blank" >RIV/61388955:_____/01:54010066 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Some Remarks on the Stability of the Ground and Excited Electronic States of the CF 2 ++ Dication.
Original language description
The dissociation path of the ground state of CF2++ dication is investigated by means of the multireference averaged quadratic coupled cluster (AQCC) method using an ANO type basis set. Low lying electronically excited states involved in the dissociationare calculed. The ground state of the CF2++ dication has be considered as metastable DE=-8.5 kcal/mol, however its dissociation into the ground states of CF+ and F+ is spin forbidden.
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
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2001
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
338
Issue of the periodical within the volume
3
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
6
Pages from-to
189-194
UT code for WoS article
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EID of the result in the Scopus database
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