| dc.contributor.author |
Martin, Bodo R. |
|
| dc.contributor.author |
Comba, Peter |
|
| dc.date.accessioned |
2018-08-22T13:18:47Z |
|
| dc.date.available |
2018-08-22T13:18:47Z |
|
| dc.date.issued |
2018-08-14 |
|
| dc.identifier.other |
510358209 |
|
| dc.identifier.uri |
http://hdl.handle.net/10900/83808 |
|
| dc.identifier.uri |
http://nbn-resolving.de/urn:nbn:de:bsz:21-dspace-838083 |
de_DE |
| dc.identifier.uri |
http://dx.doi.org/10.15496/publikation-25198 |
|
| dc.description.abstract |
Parameters for the fluctuating charge model are derived for
In(III), La(III), Lu(III) and Bi(III), based on x-ray structural
data and DFT single point calculations. A number of density
partitioning schemes is tested. |
en |
| dc.language.iso |
en |
de_DE |
| dc.publisher |
Universität Tübingen |
de_DE |
| dc.rights |
ubt-podok |
de_DE |
| dc.rights.uri |
http://tobias-lib.uni-tuebingen.de/doku/lic_mit_pod.php?la=de |
de_DE |
| dc.rights.uri |
http://tobias-lib.uni-tuebingen.de/doku/lic_mit_pod.php?la=en |
en |
| dc.subject.classification |
Hochleistungsrechnen |
de_DE |
| dc.subject.ddc |
000 |
de_DE |
| dc.subject.ddc |
004 |
de_DE |
| dc.title |
Empirical Charge Scheme for Transition Metals and Lanthanoids: Development and Applications |
en |
| dc.type |
ConferencePaper |
de_DE |
| utue.publikation.fachbereich |
Zentrum für Datenverarbeitung |
de_DE |
| utue.publikation.fakultaet |
7 Mathematisch-Naturwissenschaftliche Fakultät |
de_DE |
