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Heats of formation of alkali and alkaline earth oxides and hydroxides: some dramatic failures of the G2 method

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dc.contributor.authorSchulz, Axel
dc.contributor.authorSmith, Barton L
dc.contributor.authorRadom, Leo
dc.date.accessioned2015-12-13T23:35:15Z
dc.date.issued1999
dc.date.updated2015-12-12T09:39:13Z
dc.description.abstractHigh-level ab initio calculations with a variety of G2-based methods have been used to determine the structures and heats of formation of the alkali and alkaline earth oxides and hydroxides (M2O, MOH with M = Li, Na, and K; M′O, M′(OH)2 with M′ = Be
dc.identifier.issn1089-5639
dc.identifier.urihttp://hdl.handle.net/1885/93829
dc.publisherAmerican Chemical Society
dc.sourceJournal of Physical Chemistry A
dc.titleHeats of formation of alkali and alkaline earth oxides and hydroxides: some dramatic failures of the G2 method
dc.typeJournal article
local.bibliographicCitation.lastpage7527
local.bibliographicCitation.startpage7522
local.contributor.affiliationSchulz, Axel, Ludwig Maximilian University of Munich
local.contributor.affiliationSmith, Barton L, La Trobe University
local.contributor.affiliationRadom, Leo, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidRadom, Leo, u7401603
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030602 - Chemical Thermodynamics and Energetics
local.identifier.ariespublicationMigratedxPub25246
local.identifier.citationvolume103
local.identifier.scopusID2-s2.0-0001249273
local.type.statusPublished Version

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