Matches in SemOpenAlex for { <https://semopenalex.org/work/W3093493381> ?p ?o ?g. }
- W3093493381 endingPage "9132" @default.
- W3093493381 startingPage "9128" @default.
- W3093493381 abstract "The modeling of low-temperature plasma synthesis of low-dimensional carbon coatings remains a challenge, since the long-time spans must be simulated for structural relaxation. A proper theoretical method should be chosen to address possible charge-transfer processes. Considering the possibility of linear-chained carbon (LCC) synthesis simulation, a numerical study of the C–C bond breaking under slow argon-ion irradiation is performed for the model molecules of 2,2,3,3-tetramethylbutane (sp3 hybridization), 1,2,3-butatriene (sp2), and 2-butyne (sp). Threshold energies of bond breaking are calculated for the carbon atoms in all three hybridizations. Three levels of theory are applied, and the results are compared with experiment. Based on the accuracy of the values obtained, an approach is proposed for modeling the ion-assisted plasma synthesis." @default.
- W3093493381 created "2020-10-29" @default.
- W3093493381 creator A5086690050 @default.
- W3093493381 creator A5087574571 @default.
- W3093493381 date "2020-10-27" @default.
- W3093493381 modified "2023-10-16" @default.
- W3093493381 title "Carbon Bond Breaking under Ar<sup>+</sup>-Ion Irradiation in Dependence on sp Hybridization: Car–Parrinello, Ehrenfest, and Classical Dynamics Study" @default.
- W3093493381 cites W1839780272 @default.
- W3093493381 cites W1965711259 @default.
- W3093493381 cites W1967853451 @default.
- W3093493381 cites W1979680610 @default.
- W3093493381 cites W1981368803 @default.
- W3093493381 cites W1987327282 @default.
- W3093493381 cites W2005744923 @default.
- W3093493381 cites W2016662710 @default.
- W3093493381 cites W2023616054 @default.
- W3093493381 cites W2035266068 @default.
- W3093493381 cites W2051971549 @default.
- W3093493381 cites W2052294273 @default.
- W3093493381 cites W2062454596 @default.
- W3093493381 cites W2120145199 @default.
- W3093493381 cites W2152794733 @default.
- W3093493381 cites W2178651669 @default.
- W3093493381 cites W2236467938 @default.
- W3093493381 cites W2511867836 @default.
- W3093493381 cites W2513437296 @default.
- W3093493381 cites W2601081289 @default.
- W3093493381 cites W2765872793 @default.
- W3093493381 cites W2769110914 @default.
- W3093493381 cites W2911176395 @default.
- W3093493381 cites W2967738078 @default.
- W3093493381 cites W2972636200 @default.
- W3093493381 cites W2990387565 @default.
- W3093493381 cites W3101095095 @default.
- W3093493381 cites W3105702240 @default.
- W3093493381 cites W4229766111 @default.
- W3093493381 cites W4253294903 @default.
- W3093493381 cites W565854973 @default.
- W3093493381 cites W2963595493 @default.
- W3093493381 doi "https://doi.org/10.1021/acs.jpca.0c05739" @default.
- W3093493381 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33107732" @default.
- W3093493381 hasPublicationYear "2020" @default.
- W3093493381 type Work @default.
- W3093493381 sameAs 3093493381 @default.
- W3093493381 citedByCount "3" @default.
- W3093493381 countsByYear W30934933812021 @default.
- W3093493381 countsByYear W30934933812022 @default.
- W3093493381 crossrefType "journal-article" @default.
- W3093493381 hasAuthorship W3093493381A5086690050 @default.
- W3093493381 hasAuthorship W3093493381A5087574571 @default.
- W3093493381 hasConcept C104779481 @default.
- W3093493381 hasConcept C111337013 @default.
- W3093493381 hasConcept C121332964 @default.
- W3093493381 hasConcept C140205800 @default.
- W3093493381 hasConcept C145148216 @default.
- W3093493381 hasConcept C147597530 @default.
- W3093493381 hasConcept C15744967 @default.
- W3093493381 hasConcept C159467904 @default.
- W3093493381 hasConcept C159985019 @default.
- W3093493381 hasConcept C178790620 @default.
- W3093493381 hasConcept C184779094 @default.
- W3093493381 hasConcept C185544564 @default.
- W3093493381 hasConcept C185592680 @default.
- W3093493381 hasConcept C192562407 @default.
- W3093493381 hasConcept C2776029896 @default.
- W3093493381 hasConcept C32909587 @default.
- W3093493381 hasConcept C41999313 @default.
- W3093493381 hasConcept C547737533 @default.
- W3093493381 hasConcept C59593255 @default.
- W3093493381 hasConcept C77805123 @default.
- W3093493381 hasConcept C82706917 @default.
- W3093493381 hasConceptScore W3093493381C104779481 @default.
- W3093493381 hasConceptScore W3093493381C111337013 @default.
- W3093493381 hasConceptScore W3093493381C121332964 @default.
- W3093493381 hasConceptScore W3093493381C140205800 @default.
- W3093493381 hasConceptScore W3093493381C145148216 @default.
- W3093493381 hasConceptScore W3093493381C147597530 @default.
- W3093493381 hasConceptScore W3093493381C15744967 @default.
- W3093493381 hasConceptScore W3093493381C159467904 @default.
- W3093493381 hasConceptScore W3093493381C159985019 @default.
- W3093493381 hasConceptScore W3093493381C178790620 @default.
- W3093493381 hasConceptScore W3093493381C184779094 @default.
- W3093493381 hasConceptScore W3093493381C185544564 @default.
- W3093493381 hasConceptScore W3093493381C185592680 @default.
- W3093493381 hasConceptScore W3093493381C192562407 @default.
- W3093493381 hasConceptScore W3093493381C2776029896 @default.
- W3093493381 hasConceptScore W3093493381C32909587 @default.
- W3093493381 hasConceptScore W3093493381C41999313 @default.
- W3093493381 hasConceptScore W3093493381C547737533 @default.
- W3093493381 hasConceptScore W3093493381C59593255 @default.
- W3093493381 hasConceptScore W3093493381C77805123 @default.
- W3093493381 hasConceptScore W3093493381C82706917 @default.
- W3093493381 hasFunder F4320321912 @default.
- W3093493381 hasFunder F4320324099 @default.
- W3093493381 hasIssue "44" @default.
- W3093493381 hasLocation W30934933811 @default.
- W3093493381 hasLocation W30934933812 @default.
- W3093493381 hasOpenAccess W3093493381 @default.