FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2042282324> ?p ?o ?g. }

• W2042282324 endingPage "9769" @default.
• W2042282324 startingPage "9760" @default.
• W2042282324 abstract "The low-lying electronic states of NbCn with five different geometries, namely, ring (R), linear (L), kite (K), Nb-terminally bound to a Cn ring (T), and a structure with C−Nb−C bridge fused with a Cn ring (A) (n > 3) are considered for n = 3−8. Three different levels of theoretical techniques, viz., complete active space multiconfiguration self-consistent field, multireference singles + doubles configuration interaction, and density functional theory were considered. We compute the equilibrium geometries, energy separations of the low-lying electronic states, Gibbs free energies, and heat capacity functions as a function of temperatures. For smaller clusters such as NbC3, NbC4, and NbC5, we find the ring structure to be lower with the linear structure as the first excited structure. Larger clusters exhibit odd−even alternation in that for even n the linear and ring structures are very close, whereas the clusters with odd n exhibit lower ring structures analogous to the smaller clusters. NbC6 was found to be unusual in having a linear ground state." @default.
• W2042282324 created "2016-06-24" @default.
• W2042282324 creator A5015043445 @default.
• W2042282324 creator A5029659363 @default.
• W2042282324 creator A5062949053 @default.
• W2042282324 date "2000-10-06" @default.
• W2042282324 modified "2023-10-17" @default.
• W2042282324 title "Electronic Structures of Niobium Carbides: NbC<i>_n</i> (<i>n</i> = 3−8)" @default.
• W2042282324 cites W1487139316 @default.
• W2042282324 cites W1497047605 @default.
• W2042282324 cites W1559966618 @default.
• W2042282324 cites W1971021812 @default.
• W2042282324 cites W1978097853 @default.
• W2042282324 cites W1982294616 @default.
• W2042282324 cites W1982798918 @default.
• W2042282324 cites W1984779713 @default.
• W2042282324 cites W1985721198 @default.
• W2042282324 cites W1986054932 @default.
• W2042282324 cites W1995204473 @default.
• W2042282324 cites W1995809803 @default.
• W2042282324 cites W2012706838 @default.
• W2042282324 cites W2021445255 @default.
• W2042282324 cites W2028755749 @default.
• W2042282324 cites W2029801922 @default.
• W2042282324 cites W2030104496 @default.
• W2042282324 cites W2032745962 @default.
• W2042282324 cites W2036143854 @default.
• W2042282324 cites W2038412963 @default.
• W2042282324 cites W2039981557 @default.
• W2042282324 cites W2043319671 @default.
• W2042282324 cites W2054971295 @default.
• W2042282324 cites W2055494701 @default.
• W2042282324 cites W2058768324 @default.
• W2042282324 cites W2060644235 @default.
• W2042282324 cites W2065675174 @default.
• W2042282324 cites W2066210723 @default.
• W2042282324 cites W2073860633 @default.
• W2042282324 cites W2074635407 @default.
• W2042282324 cites W2079165841 @default.
• W2042282324 cites W2081253936 @default.
• W2042282324 cites W2082654393 @default.
• W2042282324 cites W2085077255 @default.
• W2042282324 cites W2086626782 @default.
• W2042282324 cites W2093356180 @default.
• W2042282324 cites W2095184364 @default.
• W2042282324 cites W2126128008 @default.
• W2042282324 cites W2143981217 @default.
• W2042282324 cites W2145422976 @default.
• W2042282324 cites W2168193263 @default.
• W2042282324 cites W2181575666 @default.
• W2042282324 cites W274586580 @default.
• W2042282324 cites W2949905212 @default.
• W2042282324 cites W2951537467 @default.
• W2042282324 cites W2988498132 @default.
• W2042282324 cites W78760921 @default.
• W2042282324 doi "https://doi.org/10.1021/jp001412x" @default.
• W2042282324 hasPublicationYear "2000" @default.
• W2042282324 type Work @default.
• W2042282324 sameAs 2042282324 @default.
• W2042282324 citedByCount "28" @default.
• W2042282324 countsByYear W20422823242012 @default.
• W2042282324 countsByYear W20422823242013 @default.
• W2042282324 countsByYear W20422823242014 @default.
• W2042282324 countsByYear W20422823242015 @default.
• W2042282324 countsByYear W20422823242016 @default.
• W2042282324 countsByYear W20422823242018 @default.
• W2042282324 countsByYear W20422823242019 @default.
• W2042282324 countsByYear W20422823242022 @default.
• W2042282324 crossrefType "journal-article" @default.
• W2042282324 hasAuthorship W2042282324A5015043445 @default.
• W2042282324 hasAuthorship W2042282324A5029659363 @default.
• W2042282324 hasAuthorship W2042282324A5062949053 @default.
• W2042282324 hasConcept C121332964 @default.
• W2042282324 hasConcept C147597530 @default.
• W2042282324 hasConcept C152365726 @default.
• W2042282324 hasConcept C178790620 @default.
• W2042282324 hasConcept C181500209 @default.
• W2042282324 hasConcept C184779094 @default.
• W2042282324 hasConcept C185592680 @default.
• W2042282324 hasConcept C2780378348 @default.
• W2042282324 hasConcept C41455181 @default.
• W2042282324 hasConcept C41999313 @default.
• W2042282324 hasConcept C507968137 @default.
• W2042282324 hasConcept C65956243 @default.
• W2042282324 hasConcept C69523127 @default.
• W2042282324 hasConcept C8010536 @default.
• W2042282324 hasConcept C86025842 @default.
• W2042282324 hasConceptScore W2042282324C121332964 @default.
• W2042282324 hasConceptScore W2042282324C147597530 @default.
• W2042282324 hasConceptScore W2042282324C152365726 @default.
• W2042282324 hasConceptScore W2042282324C178790620 @default.
• W2042282324 hasConceptScore W2042282324C181500209 @default.
• W2042282324 hasConceptScore W2042282324C184779094 @default.
• W2042282324 hasConceptScore W2042282324C185592680 @default.
• W2042282324 hasConceptScore W2042282324C2780378348 @default.
• W2042282324 hasConceptScore W2042282324C41455181 @default.
• W2042282324 hasConceptScore W2042282324C41999313 @default.
• W2042282324 hasConceptScore W2042282324C507968137 @default.

• next