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dc.creatorMilovanović, Milan R.
dc.creatorŽivković, Jelena M.
dc.creatorNinković, Dragan
dc.creatorStanković, Ivana
dc.creatorZarić, Snežana D.
dc.date.accessioned2020-06-30T11:07:13Z
dc.date.available2020-06-30T11:07:13Z
dc.date.issued2020
dc.identifier.issn1463-9076
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/3977
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/3586
dc.description.abstractWater molecules from crystal structures archived in the CSD show a relatively large range both in the bond angle and bond lengths. High level ab initio calculations at the CCSD(T)/CBS level predicted a possibility for energetically low-cost (±1 kcal mol−1) changes of the bond angle and bond lengths in a wide range, from 96.4° to 112.8° and from 0.930 Å to 0.989 Å, respectively.
dc.publisherRoyal Society of Chemistry
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172065/RS//
dc.rightsrestrictedAccess
dc.sourcePhysical Chemistry Chemical Physics
dc.subjectElectron Diffraction
dc.subjectOrganofluorine Compound
dc.subjectCyanocyclohexane
dc.titleHow flexible is the water molecule structure? Analysis of crystal structures and the potential energy surface
dc.typearticle
dc.rights.licenseARR
dcterms.abstractМиловановић, Милан Р.; Нинковић, Драган; Станковић, Ивана; Живковић, Јелена М.; Зарић, Снежана Д.;
dc.citation.volume22
dc.citation.issue7
dc.citation.spage4138
dc.citation.epage4143
dc.citation.rankM21~
dc.identifier.pmid32037414
dc.identifier.doi10.1039/C9CP07042G
dc.identifier.scopus2-s2.0-85080846849
dc.identifier.wos000518624400041
dc.type.versionpublishedVersion


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