Matches in SemOpenAlex for { <https://semopenalex.org/work/W2950943983> ?p ?o ?g. }
Showing items 1 to 79 of
79
with 100 items per page.
- W2950943983 abstract "Alternating partial hydrogenation of the interior region of a polycyclic aromatic hydrocarbon gives a finite model system representing systems on the pathway from graphene to the graphane modification of the graphene sheet. Calculations at the DFT and coupled Hartree–Fock levels confirm that sp2 cycles of bare carbon centres isolated by selective hydrogenation retain the essentially planar geometry and electron delocalization of the annulene that they mimic. Delocalization is diagnosed by the presence of ring currents, as detected by ipsocentric calculation and visualization of the current density induced in the π system by a perpendicular external magnetic field. These induced ‘ring’ currents have essentially the same sense, strength and orbital origin as in the free hydrocarbon. Subjected to the important experimental proviso of the need for atomic-scale control of hydrogenation, this finding predicts the possibility of writing single, multiple and concentric diatropic and/or paratropic ring currents on the graphene/graphane sheet. The implication is that pathways for free flow of ballistic current can be modelled in the same way." @default.
- W2950943983 created "2019-06-27" @default.
- W2950943983 creator A5017069218 @default.
- W2950943983 creator A5047753351 @default.
- W2950943983 creator A5061874472 @default.
- W2950943983 date "2015-03-26" @default.
- W2950943983 modified "2023-09-27" @default.
- W2950943983 title "ChemInform Abstract: Writing with Ring Currents: Selectively Hydrogenated Polycyclic Aromatics as Finite Models of Graphene and Graphane" @default.
- W2950943983 cites W2007857854 @default.
- W2950943983 doi "https://doi.org/10.1002/chin.201515355" @default.
- W2950943983 hasPublicationYear "2015" @default.
- W2950943983 type Work @default.
- W2950943983 sameAs 2950943983 @default.
- W2950943983 citedByCount "0" @default.
- W2950943983 crossrefType "journal-article" @default.
- W2950943983 hasAuthorship W2950943983A5017069218 @default.
- W2950943983 hasAuthorship W2950943983A5047753351 @default.
- W2950943983 hasAuthorship W2950943983A5061874472 @default.
- W2950943983 hasConcept C121684516 @default.
- W2950943983 hasConcept C134786449 @default.
- W2950943983 hasConcept C147597530 @default.
- W2950943983 hasConcept C152365726 @default.
- W2950943983 hasConcept C159467904 @default.
- W2950943983 hasConcept C171250308 @default.
- W2950943983 hasConcept C178790620 @default.
- W2950943983 hasConcept C185592680 @default.
- W2950943983 hasConcept C192562407 @default.
- W2950943983 hasConcept C20362734 @default.
- W2950943983 hasConcept C2776897204 @default.
- W2950943983 hasConcept C2777207669 @default.
- W2950943983 hasConcept C2780378348 @default.
- W2950943983 hasConcept C30080830 @default.
- W2950943983 hasConcept C41008148 @default.
- W2950943983 hasConcept C41999313 @default.
- W2950943983 hasConcept C70050531 @default.
- W2950943983 hasConceptScore W2950943983C121684516 @default.
- W2950943983 hasConceptScore W2950943983C134786449 @default.
- W2950943983 hasConceptScore W2950943983C147597530 @default.
- W2950943983 hasConceptScore W2950943983C152365726 @default.
- W2950943983 hasConceptScore W2950943983C159467904 @default.
- W2950943983 hasConceptScore W2950943983C171250308 @default.
- W2950943983 hasConceptScore W2950943983C178790620 @default.
- W2950943983 hasConceptScore W2950943983C185592680 @default.
- W2950943983 hasConceptScore W2950943983C192562407 @default.
- W2950943983 hasConceptScore W2950943983C20362734 @default.
- W2950943983 hasConceptScore W2950943983C2776897204 @default.
- W2950943983 hasConceptScore W2950943983C2777207669 @default.
- W2950943983 hasConceptScore W2950943983C2780378348 @default.
- W2950943983 hasConceptScore W2950943983C30080830 @default.
- W2950943983 hasConceptScore W2950943983C41008148 @default.
- W2950943983 hasConceptScore W2950943983C41999313 @default.
- W2950943983 hasConceptScore W2950943983C70050531 @default.
- W2950943983 hasLocation W29509439831 @default.
- W2950943983 hasOpenAccess W2950943983 @default.
- W2950943983 hasPrimaryLocation W29509439831 @default.
- W2950943983 hasRelatedWork W1505575445 @default.
- W2950943983 hasRelatedWork W1719518702 @default.
- W2950943983 hasRelatedWork W1849762324 @default.
- W2950943983 hasRelatedWork W1983136922 @default.
- W2950943983 hasRelatedWork W1986958219 @default.
- W2950943983 hasRelatedWork W1987687029 @default.
- W2950943983 hasRelatedWork W2003251434 @default.
- W2950943983 hasRelatedWork W2007857854 @default.
- W2950943983 hasRelatedWork W2028487199 @default.
- W2950943983 hasRelatedWork W2037845322 @default.
- W2950943983 hasRelatedWork W2047737709 @default.
- W2950943983 hasRelatedWork W2071237909 @default.
- W2950943983 hasRelatedWork W2072966961 @default.
- W2950943983 hasRelatedWork W2090161033 @default.
- W2950943983 hasRelatedWork W2167233748 @default.
- W2950943983 hasRelatedWork W2319450709 @default.
- W2950943983 hasRelatedWork W2399075999 @default.
- W2950943983 hasRelatedWork W3029215214 @default.
- W2950943983 hasRelatedWork W3104110694 @default.
- W2950943983 hasRelatedWork W3196841551 @default.
- W2950943983 isParatext "false" @default.
- W2950943983 isRetracted "false" @default.
- W2950943983 magId "2950943983" @default.
- W2950943983 workType "article" @default.