FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1518233711> ?p ?o ?g. }

• W1518233711 endingPage "53" @default.
• W1518233711 startingPage "46" @default.
• W1518233711 abstract "F3CGe¨GeGeH, with two unpaired electrons, is the only triplet (t) ground state germylene found among 30 divalent species, with XHGe3 formula, at six reasonably high ab initio and DFT levels (X = H, NH2, SiH3, and CF3). Its corresponding singlet (s) appears at a higher energy while showing a negative force constant. The crossing angle (Ф) between the above s and t states is 90°. Replacement of CF3 with H and NH2 increases Ф to 120° and 160°, respectively. No crossing of the s and t states occurs for H3SiGeGeGeH, whose s state is its global minimum. Having X directly attached to the divalent germylene in XGeGeGeH, increases the X effects on ΔEs–t,X compared to the isomeric species: 3-X-1,2,3-trigermapropargylene, 3-X-1,2,3-trigermavinylidene and 2-X-1,2,3-trigermacyclopropenylidene, respectively. Nonetheless, the latter cyclic divalent species appear relatively more stable with the highest LUMO–HOMO energy gaps, while their NICS calculations show their aromatic character change as a function of X (SiH3 > H > CF3 > NH2). Finally, the global minimum among the 30 isomeric XHGe3 is found to be SiH3 substituted singlet trigermacyclopropenylidene." @default.
• W1518233711 created "2016-06-24" @default.
• W1518233711 creator A5037312605 @default.
• W1518233711 creator A5039302765 @default.
• W1518233711 creator A5040829180 @default.
• W1518233711 creator A5076324405 @default.
• W1518233711 date "2009-04-01" @default.
• W1518233711 modified "2023-10-09" @default.
• W1518233711 title "A novel triplet germylene F3CGeGeH at theoretical levels" @default.
• W1518233711 cites W1970269865 @default.
• W1518233711 cites W1970353317 @default.
• W1518233711 cites W1977847912 @default.
• W1518233711 cites W1978857818 @default.
• W1518233711 cites W1983542597 @default.
• W1518233711 cites W1991921443 @default.
• W1518233711 cites W2000828277 @default.
• W1518233711 cites W2003712281 @default.
• W1518233711 cites W2007068888 @default.
• W1518233711 cites W2020674579 @default.
• W1518233711 cites W2021560546 @default.
• W1518233711 cites W2024826204 @default.
• W1518233711 cites W2028761662 @default.
• W1518233711 cites W2031511618 @default.
• W1518233711 cites W2031856796 @default.
• W1518233711 cites W2038754866 @default.
• W1518233711 cites W2042403877 @default.
• W1518233711 cites W2045984083 @default.
• W1518233711 cites W2050772699 @default.
• W1518233711 cites W2054164390 @default.
• W1518233711 cites W2063380366 @default.
• W1518233711 cites W2069329659 @default.
• W1518233711 cites W2070005238 @default.
• W1518233711 cites W2082345944 @default.
• W1518233711 cites W2093382364 @default.
• W1518233711 cites W2100003669 @default.
• W1518233711 cites W2129013013 @default.
• W1518233711 cites W2143981217 @default.
• W1518233711 cites W2950016982 @default.
• W1518233711 cites W2950739677 @default.
• W1518233711 cites W2950962023 @default.
• W1518233711 cites W2952074360 @default.
• W1518233711 doi "https://doi.org/10.1016/j.theochem.2008.12.008" @default.
• W1518233711 hasPublicationYear "2009" @default.
• W1518233711 type Work @default.
• W1518233711 sameAs 1518233711 @default.
• W1518233711 citedByCount "3" @default.
• W1518233711 countsByYear W15182337112012 @default.
• W1518233711 countsByYear W15182337112023 @default.
• W1518233711 crossrefType "journal-article" @default.
• W1518233711 hasAuthorship W1518233711A5037312605 @default.
• W1518233711 hasAuthorship W1518233711A5039302765 @default.
• W1518233711 hasAuthorship W1518233711A5040829180 @default.
• W1518233711 hasAuthorship W1518233711A5076324405 @default.
• W1518233711 hasConcept C121332964 @default.
• W1518233711 hasConcept C14158195 @default.
• W1518233711 hasConcept C147597530 @default.
• W1518233711 hasConcept C178790620 @default.
• W1518233711 hasConcept C181500209 @default.
• W1518233711 hasConcept C184779094 @default.
• W1518233711 hasConcept C185592680 @default.
• W1518233711 hasConcept C2781442258 @default.
• W1518233711 hasConcept C32909587 @default.
• W1518233711 hasConcept C33062035 @default.
• W1518233711 hasConcept C69523127 @default.
• W1518233711 hasConcept C74884574 @default.
• W1518233711 hasConcept C76766466 @default.
• W1518233711 hasConcept C8010536 @default.
• W1518233711 hasConceptScore W1518233711C121332964 @default.
• W1518233711 hasConceptScore W1518233711C14158195 @default.
• W1518233711 hasConceptScore W1518233711C147597530 @default.
• W1518233711 hasConceptScore W1518233711C178790620 @default.
• W1518233711 hasConceptScore W1518233711C181500209 @default.
• W1518233711 hasConceptScore W1518233711C184779094 @default.
• W1518233711 hasConceptScore W1518233711C185592680 @default.
• W1518233711 hasConceptScore W1518233711C2781442258 @default.
• W1518233711 hasConceptScore W1518233711C32909587 @default.
• W1518233711 hasConceptScore W1518233711C33062035 @default.
• W1518233711 hasConceptScore W1518233711C69523127 @default.
• W1518233711 hasConceptScore W1518233711C74884574 @default.
• W1518233711 hasConceptScore W1518233711C76766466 @default.
• W1518233711 hasConceptScore W1518233711C8010536 @default.
• W1518233711 hasIssue "1-3" @default.
• W1518233711 hasLocation W15182337111 @default.
• W1518233711 hasOpenAccess W1518233711 @default.
• W1518233711 hasPrimaryLocation W15182337111 @default.
• W1518233711 hasRelatedWork W1964889365 @default.
• W1518233711 hasRelatedWork W1974806592 @default.
• W1518233711 hasRelatedWork W1990951599 @default.
• W1518233711 hasRelatedWork W2002674606 @default.
• W1518233711 hasRelatedWork W2005450231 @default.
• W1518233711 hasRelatedWork W2040109601 @default.
• W1518233711 hasRelatedWork W2053142667 @default.
• W1518233711 hasRelatedWork W2081911835 @default.
• W1518233711 hasRelatedWork W2348990831 @default.
• W1518233711 hasRelatedWork W2388800624 @default.
• W1518233711 hasVolume "899" @default.
• W1518233711 isParatext "false" @default.
• W1518233711 isRetracted "false" @default.

• next