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Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"
| dc.creator | Stojanović, Milovan | |
| dc.creator | Baranac-Stojanović, Marija | |
| dc.date.accessioned | 2021-04-20T20:27:35Z | |
| dc.date.available | 2021-04-20T20:27:35Z | |
| dc.date.issued | 2018 | |
| dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/4477 | |
| dc.description.abstract | Table 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.publisher | Wiley | |
| dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172020/RS// | |
| dc.relation.isreferencedby | https://doi.org/10.1002/ejoc.201801047 | |
| dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/2386 | |
| dc.rights | openAccess | |
| dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
| dc.source | European Journal of Organic Chemistry | |
| dc.subject | Boron | en |
| dc.subject | Density functional calculations | en |
| dc.subject | Electronic structure | en |
| dc.subject | Fused-ring systems | en |
| dc.subject | Nitrogen | en |
| dc.title | Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes" | en |
| dc.type | dataset | |
| dc.rights.license | BY | |
| dcterms.abstract | Стојановић, Милован; Баранац-Стојановић, Марија; | |
| dc.description.other | This 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.other | The published version of the article: [https://cer.ihtm.bg.ac.rs/handle/123456789/2386] | |
| dc.identifier.rcub | https://hdl.handle.net/21.15107/rcub_cer_4477 | |
| dc.identifier.fulltext | https://cer.ihtm.bg.ac.rs/bitstream/id/19915/si2386-ejoc201801047-sup-0001-supmat.pdf | |
| dc.type.version | publishedVersion |
