Contribution to the interaction of antamanide with the trivalent terbium cation

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43899363" target="_blank" >RIV/60461373:22340/15:43899363 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/15:68282 RIV/60461373:22810/15:43899363
Result on the web
<a href="http://link.springer.com/article/10.1007/s00706-014-1340-4" target="_blank" >http://link.springer.com/article/10.1007/s00706-014-1340-4</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00706-014-1340-4" target="_blank" >10.1007/s00706-014-1340-4</a>

Result language
angličtina
Original language name
Contribution to the interaction of antamanide with the trivalent terbium cation
Original language description
Using quantum mechanical calculations, the most probable structure of the antamanide-Tb3+ cationic complex species was derived. In this complex, the "central" cation Tb3+ is bound by seven bonding interactions to the corresponding seven carbonyl oxygen atoms of the parent antamanide ligand. Further, it is necessary to emphasize that the antamanide-Tb3+ complex formation broke the two intramolecular hydrogen bonds involved in the free antamanide ligand structure. Finally, the interaction energy, E(int),of the considered Tb(III) complex was found to be -336.1 kJ mol(-1), confirming the formation of this cationic species as well.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
—

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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