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Pair potentials for alumina from ab initio results on the Al2O3 molecule

dc.contributor.authorAkdeniz, Z
dc.contributor.authorTosi, MP
dc.contributor.authorCicek, Z
dc.date.accessioned2021-03-02T20:21:43Z
dc.date.available2021-03-02T20:21:43Z
dc.date.issued2001
dc.identifier.citationAkdeniz Z., Cicek Z., Tosi M., "Pair potentials for alumina from ab initio results on the Al2O3 molecule", PHYSICS AND CHEMISTRY OF LIQUIDS, cilt.39, sa.5, ss.543-550, 2001
dc.identifier.issn0031-9104
dc.identifier.otherav_019a454f-a6ff-4993-9c70-fc749607ee87
dc.identifier.othervv_1032021
dc.identifier.urihttp://hdl.handle.net/20.500.12627/7046
dc.identifier.urihttps://doi.org/10.1080/00319100108030676
dc.description.abstractWe use results from an ab initio investigation by Chang et al., on energetically low-lying stationary points of the Al2O3 molecule to determine interionic potentials for the Al-O, O-O and Al-Al pairs. Our results are discussed in the perspective of previous studies of the condensed phases of alumina, with special regard to the structure of its molten state.
dc.language.isoeng
dc.subjectFizik
dc.subjectTemel Bilimler
dc.subjectYoğun Madde 1:Yapısal, Mekanik ve Termal Özellikler
dc.subjectFizikokimya
dc.subjectFİZİK, YOĞUN MADDE
dc.subjectTemel Bilimler (SCI)
dc.subjectKimya
dc.subjectKİMYA, FİZİKSEL
dc.titlePair potentials for alumina from ab initio results on the Al2O3 molecule
dc.typeMakale
dc.relation.journalPHYSICS AND CHEMISTRY OF LIQUIDS
dc.contributor.department, ,
dc.identifier.volume39
dc.identifier.issue5
dc.identifier.startpage543
dc.identifier.endpage550
dc.contributor.firstauthorID127502


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