Empirical Charge Scheme for Transition Metals and Lanthanoids: Development and Applications

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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

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