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dc.creatorBaranac-Stojanović, Marija
dc.creatorStojanović, Milovan
dc.creatorAleksić, Jovana
dc.date.accessioned2021-04-21T09:46:56Z
dc.date.available2021-04-21T09:46:56Z
dc.date.issued2021
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/4484
dc.description.abstractFigure S1. Correlation of B3LYP and PBE0, CAM-B3LYP, M062X and MP2 bond lengths for all monocycles studied. Figure S2. Correlations between aromaticity indices calculated for monocycles. Tables S1-S4. Comparison of aromaticity indices calculated with different methods. Figures S3-S28. ACID plots of studied compounds. S4 Absolute energies and x, y, z coordinates of optimized structures. S18sr
dc.language.isoensr
dc.publisherRoyal Society of Chemistrysr
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS//sr
dc.relation.isreferencedbyhttps://doi.org/10.1039/d1nj00207d
dc.relation.isreferencedbyhttps://cer.ihtm.bg.ac.rs/handle/123456789/4483
dc.rightsopenAccesssr
dc.sourceNew Journal of Chemistrysr
dc.subjectbenzenesr
dc.subjectnaphthalenesr
dc.subjectanthracenesr
dc.subjectAromaticitysr
dc.subjectAromatizationsr
dc.subjectVehiclessr
dc.subjectSilicon compoundssr
dc.subjectSpin delocalizationssr
dc.subjectSinglet-triplet energy gapsr
dc.subjectSpin density distributionssr
dc.subjectDensity functional theorysr
dc.subjectEnergy gapsr
dc.subjectNaphthalenesr
dc.subjectSilicon compoundssr
dc.subjectAntiaromaticitysr
dc.titleSupplementary information for: "Triplet state (anti)aromaticity of some monoheterocyclic analogues of benzene, naphthalene and anthracene"sr
dc.typedatasetsr
dc.rights.licenseBYsr
dcterms.abstractБаранац-Стојановић, Марија; Aлексић, Јована; Стојановић, Милован;
dc.description.otherSupplementary information for: Baranac-Stojanović, M., Stojanović, M.,& Aleksić, J. (2021). Triplet state (anti)aromaticity of some monoheterocyclic analogues of benzene, naphthalene and anthracene. New Journal of Chemistry, Royal Society of Chemistry., 45(11), 5060-5074. [https://doi.org/10.1039/d1nj00207d]
dc.description.otherPublished version of the article: [https://cer.ihtm.bg.ac.rs/handle/123456789/4483]
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs/bitstream/id/20001/d1nj00207d1.pdf
dc.type.versionpublishedVersionsr


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