Matches in SemOpenAlex for { <https://semopenalex.org/work/W2069920237> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W2069920237 endingPage "586" @default.
- W2069920237 startingPage "583" @default.
- W2069920237 abstract "The C60 dimer is studied using fully relaxed Hartree-Fock, local density, and gradient-corrected density functional calculations both for the neutral and doubly charged case (C1202−). In the neutral case, the [2 + 2] cycloadduct is lower in energy than the singly bonded (SB) isomer formed by direct covalent bonding between two C60 molecules, an isomer for which no minimum in the potential energy surface was found at high levels of theory. With the addition of one electron to each C60 molecule, however, our best calculations indicate that the relative energy ordering between the [2 + 2] and SB structures reverts. Thus, the SB dimer is predicted to be more stable than the [2 + 2] isomer in mono-anionic fullerides." @default.
- W2069920237 created "2016-06-24" @default.
- W2069920237 creator A5016283866 @default.
- W2069920237 date "1996-08-01" @default.
- W2069920237 modified "2023-10-16" @default.
- W2069920237 title "What is the lowest-energy isomer of the C60 dimer?" @default.
- W2069920237 cites W117480921 @default.
- W2069920237 cites W1608369721 @default.
- W2069920237 cites W1965601205 @default.
- W2069920237 cites W1971959663 @default.
- W2069920237 cites W1981346151 @default.
- W2069920237 cites W1988629481 @default.
- W2069920237 cites W1990916262 @default.
- W2069920237 cites W1993089642 @default.
- W2069920237 cites W1999514046 @default.
- W2069920237 cites W2002048114 @default.
- W2069920237 cites W2006331090 @default.
- W2069920237 cites W2016816700 @default.
- W2069920237 cites W2033738724 @default.
- W2069920237 cites W2045562132 @default.
- W2069920237 cites W2048165053 @default.
- W2069920237 cites W2060947011 @default.
- W2069920237 cites W2070369384 @default.
- W2069920237 cites W2071537618 @default.
- W2069920237 cites W2076605052 @default.
- W2069920237 cites W2077101475 @default.
- W2069920237 cites W2079201483 @default.
- W2069920237 cites W2081523505 @default.
- W2069920237 cites W2086957099 @default.
- W2069920237 cites W2089055327 @default.
- W2069920237 cites W2094573435 @default.
- W2069920237 cites W2133848368 @default.
- W2069920237 cites W2143981217 @default.
- W2069920237 cites W2593246409 @default.
- W2069920237 doi "https://doi.org/10.1016/0009-2614(96)00599-4" @default.
- W2069920237 hasPublicationYear "1996" @default.
- W2069920237 type Work @default.
- W2069920237 sameAs 2069920237 @default.
- W2069920237 citedByCount "71" @default.
- W2069920237 countsByYear W20699202372013 @default.
- W2069920237 countsByYear W20699202372016 @default.
- W2069920237 countsByYear W20699202372017 @default.
- W2069920237 countsByYear W20699202372020 @default.
- W2069920237 countsByYear W20699202372022 @default.
- W2069920237 countsByYear W20699202372023 @default.
- W2069920237 crossrefType "journal-article" @default.
- W2069920237 hasAuthorship W2069920237A5016283866 @default.
- W2069920237 hasConcept C113630233 @default.
- W2069920237 hasConcept C121332964 @default.
- W2069920237 hasConcept C125277925 @default.
- W2069920237 hasConcept C147597530 @default.
- W2069920237 hasConcept C152365726 @default.
- W2069920237 hasConcept C162862793 @default.
- W2069920237 hasConcept C178790620 @default.
- W2069920237 hasConcept C180577832 @default.
- W2069920237 hasConcept C184779094 @default.
- W2069920237 hasConcept C185592680 @default.
- W2069920237 hasConcept C2779546866 @default.
- W2069920237 hasConcept C32909587 @default.
- W2069920237 hasConcept C8010536 @default.
- W2069920237 hasConceptScore W2069920237C113630233 @default.
- W2069920237 hasConceptScore W2069920237C121332964 @default.
- W2069920237 hasConceptScore W2069920237C125277925 @default.
- W2069920237 hasConceptScore W2069920237C147597530 @default.
- W2069920237 hasConceptScore W2069920237C152365726 @default.
- W2069920237 hasConceptScore W2069920237C162862793 @default.
- W2069920237 hasConceptScore W2069920237C178790620 @default.
- W2069920237 hasConceptScore W2069920237C180577832 @default.
- W2069920237 hasConceptScore W2069920237C184779094 @default.
- W2069920237 hasConceptScore W2069920237C185592680 @default.
- W2069920237 hasConceptScore W2069920237C2779546866 @default.
- W2069920237 hasConceptScore W2069920237C32909587 @default.
- W2069920237 hasConceptScore W2069920237C8010536 @default.
- W2069920237 hasIssue "5-6" @default.
- W2069920237 hasLocation W20699202371 @default.
- W2069920237 hasOpenAccess W2069920237 @default.
- W2069920237 hasPrimaryLocation W20699202371 @default.
- W2069920237 hasRelatedWork W1539774968 @default.
- W2069920237 hasRelatedWork W1965652583 @default.
- W2069920237 hasRelatedWork W2004138895 @default.
- W2069920237 hasRelatedWork W2009117565 @default.
- W2069920237 hasRelatedWork W2035087097 @default.
- W2069920237 hasRelatedWork W2069602057 @default.
- W2069920237 hasRelatedWork W2332121877 @default.
- W2069920237 hasRelatedWork W2461720533 @default.
- W2069920237 hasRelatedWork W2577973536 @default.
- W2069920237 hasRelatedWork W3208653461 @default.
- W2069920237 hasVolume "257" @default.
- W2069920237 isParatext "false" @default.
- W2069920237 isRetracted "false" @default.
- W2069920237 magId "2069920237" @default.
- W2069920237 workType "article" @default.