Formulations of the closed-shell interactions in endohedral systems
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F10%3A00346286" target="_blank" >RIV/61388963:_____/10:00346286 - 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
Formulations of the closed-shell interactions in endohedral systems
Original language description
An attempt is made to express the interaction energy in an endohedral A@B system starting from a one-center (r<)l/(r>)l+1 expansion. Electrostatic, induction, and dispersion contributions are obtained from Rayleigh?Schrödinger perturbation theory.
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
<a href="/en/project/GA203%2F09%2F2037" target="_blank" >GA203/09/2037: Multiscale modeling of endohedral fullerenes. Molecular dynamics, electronic structure, and molecular properties</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Volume of the periodical
12
Issue of the periodical within the volume
23
Country of publishing house
GB - UNITED KINGDOM
Number of pages
17
Pages from-to
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UT code for WoS article
000278364600029
EID of the result in the Scopus database
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