Matches in SemOpenAlex for { <https://semopenalex.org/work/W2070295925> ?p ?o ?g. }
- W2070295925 endingPage "99" @default.
- W2070295925 startingPage "92" @default.
- W2070295925 abstract "The lowest-energy structures and stabilities of the heterodinuclear clusters, CNLin (n=1-10) and relevant CNLin(+) (n=1-10) cations, are studied using the density functional theory with the 6-311+G(3df) basis set. The CNLi6 and CNLi5(+) clusters are the first three-dimensional ones in the CNLin(0/+) series, respectively, and the CN group always caps the Lin(0/+) moiety in the CNLin(0/+) (n=1-9) configurations. The CN triple bond is found to be completely cleaved in the CNLi10(0/+) clusters where the C and N atoms are bridged by two Li atoms. The CNLin (n=2-10) clusters are hyperlithiated molecules with delocalized valence electrons and consequently possess low VIP values of 3.780-5.674eV. Especially, the CNLi8 and CNLi10 molecules exhibit lower VIPs than that of Cs atom and can be regarded as heterobinuclear superalkali species. Furthermore, these two superalkali clusters show extraordinarily large first hyperpolarizabilities of 19,423 and 42,658au, respectively. For the CNLin(+) cationic species, the evolution of the energetic and electronic properties with the cluster size shows a special stability for CNLi2(+)." @default.
- W2070295925 created "2016-06-24" @default.
- W2070295925 creator A5001832473 @default.
- W2070295925 creator A5011191534 @default.
- W2070295925 creator A5044432790 @default.
- W2070295925 creator A5066222280 @default.
- W2070295925 creator A5091302662 @default.
- W2070295925 date "2015-06-01" @default.
- W2070295925 modified "2023-10-16" @default.
- W2070295925 title "Evolution of structure, stability, and nonlinear optical properties of the heterodinuclear CNLin (n=1–10) clusters" @default.
- W2070295925 cites W1531660667 @default.
- W2070295925 cites W1610609673 @default.
- W2070295925 cites W1964724655 @default.
- W2070295925 cites W1969264464 @default.
- W2070295925 cites W1986366169 @default.
- W2070295925 cites W1987124385 @default.
- W2070295925 cites W1988301322 @default.
- W2070295925 cites W1989091043 @default.
- W2070295925 cites W1993383767 @default.
- W2070295925 cites W1994678042 @default.
- W2070295925 cites W1996039337 @default.
- W2070295925 cites W2008708918 @default.
- W2070295925 cites W2011254772 @default.
- W2070295925 cites W2016896238 @default.
- W2070295925 cites W2023271753 @default.
- W2070295925 cites W2024331545 @default.
- W2070295925 cites W2024355976 @default.
- W2070295925 cites W2032459813 @default.
- W2070295925 cites W2033927079 @default.
- W2070295925 cites W2035887397 @default.
- W2070295925 cites W2054717698 @default.
- W2070295925 cites W2059972165 @default.
- W2070295925 cites W2061209157 @default.
- W2070295925 cites W2063088500 @default.
- W2070295925 cites W2064292461 @default.
- W2070295925 cites W2064996661 @default.
- W2070295925 cites W2066870295 @default.
- W2070295925 cites W2070535447 @default.
- W2070295925 cites W2082737816 @default.
- W2070295925 cites W2087455097 @default.
- W2070295925 cites W2092680068 @default.
- W2070295925 cites W2092821942 @default.
- W2070295925 cites W2098843841 @default.
- W2070295925 cites W2106805311 @default.
- W2070295925 cites W2120869742 @default.
- W2070295925 cites W2131008659 @default.
- W2070295925 cites W2156160608 @default.
- W2070295925 cites W2166526535 @default.
- W2070295925 cites W2328129142 @default.
- W2070295925 cites W2335362839 @default.
- W2070295925 cites W2561139981 @default.
- W2070295925 cites W2949324828 @default.
- W2070295925 cites W2949917368 @default.
- W2070295925 cites W2950019184 @default.
- W2070295925 cites W3005401553 @default.
- W2070295925 cites W3017630402 @default.
- W2070295925 cites W4212894242 @default.
- W2070295925 doi "https://doi.org/10.1016/j.jmgm.2015.04.004" @default.
- W2070295925 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25912456" @default.
- W2070295925 hasPublicationYear "2015" @default.
- W2070295925 type Work @default.
- W2070295925 sameAs 2070295925 @default.
- W2070295925 citedByCount "9" @default.
- W2070295925 countsByYear W20702959252016 @default.
- W2070295925 countsByYear W20702959252019 @default.
- W2070295925 countsByYear W20702959252021 @default.
- W2070295925 countsByYear W20702959252022 @default.
- W2070295925 countsByYear W20702959252023 @default.
- W2070295925 crossrefType "journal-article" @default.
- W2070295925 hasAuthorship W2070295925A5001832473 @default.
- W2070295925 hasAuthorship W2070295925A5011191534 @default.
- W2070295925 hasAuthorship W2070295925A5044432790 @default.
- W2070295925 hasAuthorship W2070295925A5066222280 @default.
- W2070295925 hasAuthorship W2070295925A5091302662 @default.
- W2070295925 hasConcept C121332964 @default.
- W2070295925 hasConcept C147120987 @default.
- W2070295925 hasConcept C147597530 @default.
- W2070295925 hasConcept C149635348 @default.
- W2070295925 hasConcept C152365726 @default.
- W2070295925 hasConcept C164866538 @default.
- W2070295925 hasConcept C168900304 @default.
- W2070295925 hasConcept C171706072 @default.
- W2070295925 hasConcept C178790620 @default.
- W2070295925 hasConcept C183882617 @default.
- W2070295925 hasConcept C184779094 @default.
- W2070295925 hasConcept C185592680 @default.
- W2070295925 hasConcept C199360897 @default.
- W2070295925 hasConcept C2776568683 @default.
- W2070295925 hasConcept C32909587 @default.
- W2070295925 hasConcept C38649801 @default.
- W2070295925 hasConcept C41008148 @default.
- W2070295925 hasConcept C58312451 @default.
- W2070295925 hasConcept C62520636 @default.
- W2070295925 hasConcept C70050531 @default.
- W2070295925 hasConcept C71240020 @default.
- W2070295925 hasConcept C8010536 @default.
- W2070295925 hasConceptScore W2070295925C121332964 @default.
- W2070295925 hasConceptScore W2070295925C147120987 @default.