FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2055684278> ?p ?o ?g. }

• W2055684278 endingPage "170" @default.
• W2055684278 startingPage "163" @default.
• W2055684278 abstract "The molecular structure of [4] metacyclophane is optimized at the ab initio STO-3G SCF level and a genuine minimum is located. In the STO-3G structure the benzene ring is less bent and geometrically distorted than in the previously reported MNDO structure. Although some bond alternation is calculated for the carbon–carbon bond lengths of the bent benzene ring, their values still fall in the range of highly delocalized compounds. Despite the fact that the STO-3G strain energy [SE(tot.)] is larger than the corresponding MNDO strain energy, the distribution of SE(tot.) over the bent benzene ring [SE(bb.)] and the oligomethylene bridge [SE(br.)] is similar. To facilitate the hitherto unsuccesful identification of [4] metacyclophane, its electronic transition energies were calculated with CNDO/S–CI using the STO-3G geometry as input geometry. The reliability of the CNDO/S–CI results was assessed by a comparison of calculated and experimental electronic transition energies for p- and, m-xylene, [5] para- and [5] metacyclophane and [4] paracyclophane following the same approach." @default.
• W2055684278 created "2016-06-24" @default.
• W2055684278 creator A5002226870 @default.
• W2055684278 creator A5036019750 @default.
• W2055684278 date "1993-03-01" @default.
• W2055684278 modified "2023-09-26" @default.
• W2055684278 title "[4] Metacyclophane: STO-3G molecular structure, strain energy and CNDO/S?Cl electronic transition energies" @default.
• W2055684278 cites W1976106600 @default.
• W2055684278 cites W1980582082 @default.
• W2055684278 cites W2006787354 @default.
• W2055684278 cites W2007631419 @default.
• W2055684278 cites W2023156722 @default.
• W2055684278 cites W2026651515 @default.
• W2055684278 cites W2029422828 @default.
• W2055684278 cites W2034727381 @default.
• W2055684278 cites W2035186478 @default.
• W2055684278 cites W2035525094 @default.
• W2055684278 cites W2036489151 @default.
• W2055684278 cites W2037895131 @default.
• W2055684278 cites W2041792275 @default.
• W2055684278 cites W2051228640 @default.
• W2055684278 cites W2053492996 @default.
• W2055684278 cites W2054700094 @default.
• W2055684278 cites W2054943851 @default.
• W2055684278 cites W2057475687 @default.
• W2055684278 cites W2076680107 @default.
• W2055684278 cites W2083889953 @default.
• W2055684278 cites W2085280263 @default.
• W2055684278 cites W2094727819 @default.
• W2055684278 cites W2097028452 @default.
• W2055684278 cites W2102406338 @default.
• W2055684278 cites W2950288322 @default.
• W2055684278 cites W2951776028 @default.
• W2055684278 cites W4239421822 @default.
• W2055684278 cites W4246073055 @default.
• W2055684278 cites W4249995611 @default.
• W2055684278 doi "https://doi.org/10.1002/poc.610060307" @default.
• W2055684278 hasPublicationYear "1993" @default.
• W2055684278 type Work @default.
• W2055684278 sameAs 2055684278 @default.
• W2055684278 citedByCount "1" @default.
• W2055684278 crossrefType "journal-article" @default.
• W2055684278 hasAuthorship W2055684278A5002226870 @default.
• W2055684278 hasAuthorship W2055684278A5036019750 @default.
• W2055684278 hasConcept C107111320 @default.
• W2055684278 hasConcept C115624301 @default.
• W2055684278 hasConcept C138211643 @default.
• W2055684278 hasConcept C139358910 @default.
• W2055684278 hasConcept C147597530 @default.
• W2055684278 hasConcept C155860418 @default.
• W2055684278 hasConcept C178790620 @default.
• W2055684278 hasConcept C185592680 @default.
• W2055684278 hasConcept C193547582 @default.
• W2055684278 hasConcept C206263279 @default.
• W2055684278 hasConcept C2777691172 @default.
• W2055684278 hasConcept C2778153843 @default.
• W2055684278 hasConcept C2780378348 @default.
• W2055684278 hasConcept C2781442258 @default.
• W2055684278 hasConcept C32909587 @default.
• W2055684278 hasConcept C70050531 @default.
• W2055684278 hasConcept C8010536 @default.
• W2055684278 hasConcept C86025842 @default.
• W2055684278 hasConcept C95306019 @default.
• W2055684278 hasConceptScore W2055684278C107111320 @default.
• W2055684278 hasConceptScore W2055684278C115624301 @default.
• W2055684278 hasConceptScore W2055684278C138211643 @default.
• W2055684278 hasConceptScore W2055684278C139358910 @default.
• W2055684278 hasConceptScore W2055684278C147597530 @default.
• W2055684278 hasConceptScore W2055684278C155860418 @default.
• W2055684278 hasConceptScore W2055684278C178790620 @default.
• W2055684278 hasConceptScore W2055684278C185592680 @default.
• W2055684278 hasConceptScore W2055684278C193547582 @default.
• W2055684278 hasConceptScore W2055684278C206263279 @default.
• W2055684278 hasConceptScore W2055684278C2777691172 @default.
• W2055684278 hasConceptScore W2055684278C2778153843 @default.
• W2055684278 hasConceptScore W2055684278C2780378348 @default.
• W2055684278 hasConceptScore W2055684278C2781442258 @default.
• W2055684278 hasConceptScore W2055684278C32909587 @default.
• W2055684278 hasConceptScore W2055684278C70050531 @default.
• W2055684278 hasConceptScore W2055684278C8010536 @default.
• W2055684278 hasConceptScore W2055684278C86025842 @default.
• W2055684278 hasConceptScore W2055684278C95306019 @default.
• W2055684278 hasIssue "3" @default.
• W2055684278 hasLocation W20556842781 @default.
• W2055684278 hasOpenAccess W2055684278 @default.
• W2055684278 hasPrimaryLocation W20556842781 @default.
• W2055684278 hasRelatedWork W1975375247 @default.
• W2055684278 hasRelatedWork W2031799087 @default.
• W2055684278 hasRelatedWork W2033747994 @default.
• W2055684278 hasRelatedWork W2036489151 @default.
• W2055684278 hasRelatedWork W2055684278 @default.
• W2055684278 hasRelatedWork W2058727818 @default.
• W2055684278 hasRelatedWork W2063479688 @default.
• W2055684278 hasRelatedWork W2108027477 @default.
• W2055684278 hasRelatedWork W2950514300 @default.
• W2055684278 hasRelatedWork W3005172616 @default.
• W2055684278 hasVolume "6" @default.
• W2055684278 isParatext "false" @default.

• next