Ab initio excited states calculations of Kr3+, probing semi-empirical modelling.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F09%3AA1000VTK" target="_blank" >RIV/61988987:17310/09:A1000VTK - 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
Ab initio excited states calculations of Kr3+, probing semi-empirical modelling.
Original language description
The accuracy of the diatomics-in-molecules (DIM) model for the krypton ionic trimer is examined in a series of ab initio calculations. The overall agreement of the accurate ab initio PESs and the diatomics-in molecules PESs confirms the quality of the DIM Hamiltonian for the Kr3+ clusters.
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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2009
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
THEOR CHEM ACC
ISSN
1432-881X
e-ISSN
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Volume of the periodical
124
Issue of the periodical within the volume
3-4
Country of publishing house
DE - GERMANY
Number of pages
10
Pages from-to
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UT code for WoS article
000270436300003
EID of the result in the Scopus database
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