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https://dspace.ffh.bg.ac.rs/handle/123456789/476
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Stanković, Branislav | en_US |
dc.contributor.author | Ostojić, B. D. | en_US |
dc.contributor.author | Gruden, M. | en_US |
dc.contributor.author | Popović, A. | en_US |
dc.contributor.author | Đorđević, D. S. | en_US |
dc.date.accessioned | 2022-12-15T16:01:42Z | - |
dc.date.available | 2022-12-15T16:01:42Z | - |
dc.date.issued | 2016-09-16 | - |
dc.identifier.issn | 0009-2614 | en |
dc.identifier.uri | https://dspace.ffh.bg.ac.rs/handle/123456789/476 | - |
dc.description.abstract | For all dimethylnaphthalenes (DMNs) the transition from a planar ring conformation to a nonplanar one results in energy increase in the range 1.7–2.4 kcal/mol. There is a linear relationship between averaged rigidity constant and relative energy of DMNs. The relative stability of DMNs does not follow the aromatic stabilization based on NICS values. The ETS-NOCV analysis shows that more efficient bonding in the π-electron system is the origin of enhanced stability in laterally substituted (CH3, Cl and NO2) naphthalenes. The results for Caryl-CH3 system indicate more steric repulsion in going from 2,7-DMN to 1,8-DMN following the increase of relative energies. | en |
dc.relation.ispartof | Chemical Physics Letters | en |
dc.title | Substituted naphthalenes: Stability, conformational flexibility and description of bonding based on ETS-NOCV method | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1016/j.cplett.2016.08.056 | - |
dc.identifier.scopus | 2-s2.0-84984616746 | - |
dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/84984616746 | - |
dc.relation.firstpage | 136 | en |
dc.relation.lastpage | 142 | en |
dc.relation.volume | 661 | en |
item.openairetype | Article | - |
item.fulltext | No Fulltext | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | none | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
crisitem.author.orcid | 0000-0003-1649-9005 | - |
Appears in Collections: | Journal Article |
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