FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2005845478> ?p ?o ?g. }

• W2005845478 abstract "A class of silicon carbide cage clusters with two carbon atoms inside the silicon cage and with high stabilities are presented. The theoretical formalism used is Hartree-Fock theory followed by second-order many-body perturbation theory to account for correlation effects, and geometry optimizations at the second-order perturbation theory level are performed without any symmetry constraints. The smallest ``cage'' is found to be a silicon cube with the carbon dimer inside the cube. Based on the simultaneous criteria of high binding energy, high vertical ionization potential, high [highest occupied--lowest unoccupied molecular orbital (HOMO-LUMO)] gap, and a low vertical electron affinity, ${mathrm{Si}}_{14}{mathrm{C}}_{2},$ with a close fullerenelike structure, is predicted to be a particularly stable cluster both at the all-electron and at the pseudopotential level of calculations. The $mathrm{C}---mathrm{C}$ bond lengths and the HOMO-LUMO gaps of the clusters are both found to oscillate with cluster size." @default.
• W2005845478 created "2016-06-24" @default.
• W2005845478 creator A5003487011 @default.
• W2005845478 creator A5056264063 @default.
• W2005845478 date "2004-01-27" @default.
• W2005845478 modified "2023-10-16" @default.
• W2005845478 title "Carbon dimer in silicon cage: A class of highly stable silicon carbide clusters" @default.
• W2005845478 cites W1503112454 @default.
• W2005845478 cites W1978161517 @default.
• W2005845478 cites W1980847673 @default.
• W2005845478 cites W1990436701 @default.
• W2005845478 cites W2012921035 @default.
• W2005845478 cites W2015745588 @default.
• W2005845478 cites W2021231557 @default.
• W2005845478 cites W2022608915 @default.
• W2005845478 cites W2025401061 @default.
• W2005845478 cites W2041512102 @default.
• W2005845478 cites W2044490585 @default.
• W2005845478 cites W2057905958 @default.
• W2005845478 cites W2061053296 @default.
• W2005845478 cites W2062861231 @default.
• W2005845478 cites W2065228448 @default.
• W2005845478 cites W2074752617 @default.
• W2005845478 cites W2078313900 @default.
• W2005845478 cites W2078848485 @default.
• W2005845478 cites W2131186501 @default.
• W2005845478 cites W2474036698 @default.
• W2005845478 cites W2950050810 @default.
• W2005845478 doi "https://doi.org/10.1103/physreva.69.011201" @default.
• W2005845478 hasPublicationYear "2004" @default.
• W2005845478 type Work @default.
• W2005845478 sameAs 2005845478 @default.
• W2005845478 citedByCount "27" @default.
• W2005845478 countsByYear W20058454782012 @default.
• W2005845478 countsByYear W20058454782016 @default.
• W2005845478 countsByYear W20058454782018 @default.
• W2005845478 countsByYear W20058454782019 @default.
• W2005845478 countsByYear W20058454782020 @default.
• W2005845478 countsByYear W20058454782021 @default.
• W2005845478 crossrefType "journal-article" @default.
• W2005845478 hasAuthorship W2005845478A5003487011 @default.
• W2005845478 hasAuthorship W2005845478A5056264063 @default.
• W2005845478 hasBestOaLocation W20058454782 @default.
• W2005845478 hasConcept C114614502 @default.
• W2005845478 hasConcept C121332964 @default.
• W2005845478 hasConcept C132378524 @default.
• W2005845478 hasConcept C14158195 @default.
• W2005845478 hasConcept C145148216 @default.
• W2005845478 hasConcept C147192597 @default.
• W2005845478 hasConcept C160272327 @default.
• W2005845478 hasConcept C164866538 @default.
• W2005845478 hasConcept C174256460 @default.
• W2005845478 hasConcept C184779094 @default.
• W2005845478 hasConcept C191897082 @default.
• W2005845478 hasConcept C192562407 @default.
• W2005845478 hasConcept C198291218 @default.
• W2005845478 hasConcept C199360897 @default.
• W2005845478 hasConcept C2779546866 @default.
• W2005845478 hasConcept C2780722187 @default.
• W2005845478 hasConcept C2781238429 @default.
• W2005845478 hasConcept C32909587 @default.
• W2005845478 hasConcept C33923547 @default.
• W2005845478 hasConcept C41008148 @default.
• W2005845478 hasConcept C41999313 @default.
• W2005845478 hasConcept C46141821 @default.
• W2005845478 hasConcept C49040817 @default.
• W2005845478 hasConcept C544956773 @default.
• W2005845478 hasConcept C62396407 @default.
• W2005845478 hasConcept C62520636 @default.
• W2005845478 hasConcept C93282013 @default.
• W2005845478 hasConceptScore W2005845478C114614502 @default.
• W2005845478 hasConceptScore W2005845478C121332964 @default.
• W2005845478 hasConceptScore W2005845478C132378524 @default.
• W2005845478 hasConceptScore W2005845478C14158195 @default.
• W2005845478 hasConceptScore W2005845478C145148216 @default.
• W2005845478 hasConceptScore W2005845478C147192597 @default.
• W2005845478 hasConceptScore W2005845478C160272327 @default.
• W2005845478 hasConceptScore W2005845478C164866538 @default.
• W2005845478 hasConceptScore W2005845478C174256460 @default.
• W2005845478 hasConceptScore W2005845478C184779094 @default.
• W2005845478 hasConceptScore W2005845478C191897082 @default.
• W2005845478 hasConceptScore W2005845478C192562407 @default.
• W2005845478 hasConceptScore W2005845478C198291218 @default.
• W2005845478 hasConceptScore W2005845478C199360897 @default.
• W2005845478 hasConceptScore W2005845478C2779546866 @default.
• W2005845478 hasConceptScore W2005845478C2780722187 @default.
• W2005845478 hasConceptScore W2005845478C2781238429 @default.
• W2005845478 hasConceptScore W2005845478C32909587 @default.
• W2005845478 hasConceptScore W2005845478C33923547 @default.
• W2005845478 hasConceptScore W2005845478C41008148 @default.
• W2005845478 hasConceptScore W2005845478C41999313 @default.
• W2005845478 hasConceptScore W2005845478C46141821 @default.
• W2005845478 hasConceptScore W2005845478C49040817 @default.
• W2005845478 hasConceptScore W2005845478C544956773 @default.
• W2005845478 hasConceptScore W2005845478C62396407 @default.
• W2005845478 hasConceptScore W2005845478C62520636 @default.
• W2005845478 hasConceptScore W2005845478C93282013 @default.
• W2005845478 hasIssue "1" @default.
• W2005845478 hasLocation W20058454781 @default.
• W2005845478 hasLocation W20058454782 @default.

• next