Приказ основних података о документу

dc.creatorStojaković, Djordje
dc.creatorRajić, Nevenka
dc.date.accessioned2022-09-26T08:47:08Z
dc.date.available2022-09-26T08:47:08Z
dc.date.issued1996
dc.identifier.issn1217-8969
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/5213
dc.description.abstractA model system structurally based on CoAPO-21 has been studied by the PM3 MO method in order to examine the conformation of the encapsulated template species. It is confirmed that the observed conformation of the template ethylenediammonium ion in the framework cavities corresponds to the energy minimum for the system. The spatial position of the hydrogen atoms of the template has also been estimated. The geometry of the ion should be primarily attributed to steric factors. Intra-molecular hydrogen bonding between template and the aluminophosphate lattice occurs through the N-H...O bonds that vary in strength due to steric reasons.sr
dc.language.isoensr
dc.publisherAkadémiai Kiadósr
dc.rightsrestrictedAccesssr
dc.sourceACH Models in Chemistrysr
dc.titleA study of the template conformation in CoAPO-21sr
dc.typearticlesr
dc.rights.licenseARRsr
dc.citation.epage339
dc.citation.issue4
dc.citation.spage333
dc.citation.volume133
dc.identifier.rcubhttps://hdl.handle.net/21.15107/rcub_technorep_5213
dc.type.versionpublishedVersionsr


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Приказ основних података о документу