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dc.creatorStojanović, Milovan
dc.creatorBaranac-Stojanović, Marija
dc.date.accessioned2021-04-20T20:27:35Z
dc.date.available2021-04-20T20:27:35Z
dc.date.issued2018
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/4477
dc.description.abstractTable S1. Experimental and calculated bond lengths and bond angles for 1,4 isomer of BN-dibenzopentalene; Table S2. Spin densities in diradical state of 1,3 isomer of BN-dibenzopentalene obtained by Hirshfeld population analysis; Figure S1. Relative energies of six isomeric BN-dibenzopentalenes, BN-butadienes and BN-pentalenes; Figure S2. NICS-XY scans. Section S1: Comparison of (anti)aromaticity of various isomers of BN-dibenzopentalenes. Absolute energies and X, Y, Z coordinates of optimized structures.en
dc.publisherWiley
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172020/RS//
dc.relation.isreferencedbyhttps://doi.org/10.1002/ejoc.201801047
dc.relation.isreferencedbyhttps://cer.ihtm.bg.ac.rs/handle/123456789/2386
dc.rightsopenAccess
dc.sourceEuropean Journal of Organic Chemistry
dc.subjectBoronen
dc.subjectDensity functional calculationsen
dc.subjectElectronic structureen
dc.subjectFused-ring systemsen
dc.subjectNitrogenen
dc.titleSupporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"en
dc.typedataset
dc.rights.licenseBY
dcterms.abstractСтојановић, Милован; Баранац-Стојановић, Марија;
dc.description.otherThis is supplementary material for: Stojanović, M.,& Baranac-Stojanović, M. (2018). Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes. European Journal of Organic Chemistry, Wiley 2018(45), 6230-6240. [https://doi.org/10.1002/ejoc.201801047]
dc.description.otherThe published version of the article: [https://cer.ihtm.bg.ac.rs/handle/123456789/2386]
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs/bitstream/id/19915/si2386-ejoc201801047-sup-0001-supmat.pdf
dc.type.versionpublishedVersion


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