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231224s2016 xx |||||o 00| ||eng c |
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|a 10.1107/S1600577516001181
|2 doi
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|a pubmed24n0859.xml
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|a (NLM)26917139
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|a DE-627
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|e rakwb
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|a eng
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| 100 |
1 |
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|a Jonane, Inga
|e verfasserin
|4 aut
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| 245 |
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|a Temperature-dependent EXAFS study of the local structure and lattice dynamics in cubic Y₂O₃
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|c 2016
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 24.06.2016
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|a Date Revised 26.02.2016
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a The local structure and lattice dynamics in cubic Y2O3 were studied at the Y K-edge by X-ray absorption spectroscopy in the temperature range from 300 to 1273 K. The temperature dependence of the extended X-ray absorption fine structure was successfully interpreted using classical molecular dynamics and a novel reverse Monte Carlo method, coupled with the evolutionary algorithm. The obtained results allowed the temperature dependence of the yttria atomic structure to be followed up to ∼6 Å and to validate two force-field models
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a EXAFS
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|a evolutionary algorithm
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|a molecular dynamics
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| 650 |
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|a reverse Monte Carlo
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| 650 |
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4 |
|a yttria
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| 700 |
1 |
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|a Lazdins, Karlis
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Timoshenko, Janis
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Kuzmin, Alexei
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Purans, Juris
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Vladimirov, Pavel
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Gräning, Tim
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Hoffmann, Jan
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Journal of synchrotron radiation
|d 1994
|g 23(2016), 2 vom: 01. März, Seite 510-8
|w (DE-627)NLM09824129X
|x 1600-5775
|7 nnns
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| 773 |
1 |
8 |
|g volume:23
|g year:2016
|g number:2
|g day:01
|g month:03
|g pages:510-8
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| 856 |
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|u http://dx.doi.org/10.1107/S1600577516001181
|3 Volltext
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