FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4296690699> ?p ?o ?g. }

• W4296690699 endingPage "35152" @default.
• W4296690699 startingPage "35136" @default.
• W4296690699 abstract "Detailed density functional theory studies at the B3LYP and PBE-D3 levels of theory were performed on the cationic compound [Cp(C5H4CMe2C6H4F)ZrMe]+, with the F atom occupying either the ortho, meta, or para positions of the arene ring. In all cases, the arene ring coordinates with the cationic zirconium metal. The nature of this coordination is such that for the meta- or para-substituted arene ring, it is predominantly the ortho carbon atom of the C-H bond which interacts with the metal, as evident from noncovalent interaction studies. This is further corroborated by the natural bond orbital and quantum theory of atoms in molecular studies. In the case of the F atom being in the ortho position, we obtained clear-cut evidence for a Zr-F coordination." @default.
• W4296690699 created "2022-09-23" @default.
• W4296690699 creator A5016954281 @default.
• W4296690699 date "2022-09-22" @default.
• W4296690699 modified "2023-09-30" @default.
• W4296690699 title "Detailed Density Functional Theory Study of the Cationic Zirconocene Compound [Cp(C₅H₄CMe₂C₆H₄F)ZrMe]⁺" @default.
• W4296690699 cites W1963818903 @default.
• W4296690699 cites W1966949133 @default.
• W4296690699 cites W1973057740 @default.
• W4296690699 cites W1973883732 @default.
• W4296690699 cites W1974681653 @default.
• W4296690699 cites W1981368803 @default.
• W4296690699 cites W1985039117 @default.
• W4296690699 cites W1994996086 @default.
• W4296690699 cites W1995962331 @default.
• W4296690699 cites W1996846370 @default.
• W4296690699 cites W1999217836 @default.
• W4296690699 cites W2004634977 @default.
• W4296690699 cites W2004679088 @default.
• W4296690699 cites W2012605482 @default.
• W4296690699 cites W2014001609 @default.
• W4296690699 cites W2016403759 @default.
• W4296690699 cites W2018455188 @default.
• W4296690699 cites W2022950330 @default.
• W4296690699 cites W2023271753 @default.
• W4296690699 cites W2026875250 @default.
• W4296690699 cites W2032738819 @default.
• W4296690699 cites W2036772658 @default.
• W4296690699 cites W2039035988 @default.
• W4296690699 cites W2041086195 @default.
• W4296690699 cites W2041497592 @default.
• W4296690699 cites W2044591029 @default.
• W4296690699 cites W2046412723 @default.
• W4296690699 cites W2057283091 @default.
• W4296690699 cites W2059477834 @default.
• W4296690699 cites W2077703017 @default.
• W4296690699 cites W2078146328 @default.
• W4296690699 cites W2081298436 @default.
• W4296690699 cites W2084619794 @default.
• W4296690699 cites W2092157292 @default.
• W4296690699 cites W2093535449 @default.
• W4296690699 cites W2094105309 @default.
• W4296690699 cites W2097307184 @default.
• W4296690699 cites W2109098494 @default.
• W4296690699 cites W2111705896 @default.
• W4296690699 cites W2114416187 @default.
• W4296690699 cites W2127222082 @default.
• W4296690699 cites W2141074519 @default.
• W4296690699 cites W2143981217 @default.
• W4296690699 cites W2147360572 @default.
• W4296690699 cites W2151220474 @default.
• W4296690699 cites W2153249004 @default.
• W4296690699 cites W2157069726 @default.
• W4296690699 cites W2162766704 @default.
• W4296690699 cites W2169040980 @default.
• W4296690699 cites W2317688001 @default.
• W4296690699 cites W2319731555 @default.
• W4296690699 cites W2320577201 @default.
• W4296690699 cites W2324892372 @default.
• W4296690699 cites W2330333038 @default.
• W4296690699 cites W2332518882 @default.
• W4296690699 cites W2569525354 @default.
• W4296690699 cites W2591215381 @default.
• W4296690699 cites W2594759978 @default.
• W4296690699 cites W2782367938 @default.
• W4296690699 cites W2904216315 @default.
• W4296690699 cites W2914107378 @default.
• W4296690699 cites W2955949443 @default.
• W4296690699 cites W2979795026 @default.
• W4296690699 cites W3003046787 @default.
• W4296690699 cites W3017260797 @default.
• W4296690699 cites W3097476496 @default.
• W4296690699 cites W323683347 @default.
• W4296690699 cites W4236048302 @default.
• W4296690699 doi "https://doi.org/10.1021/acsomega.2c04053" @default.
• W4296690699 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36211080" @default.
• W4296690699 hasPublicationYear "2022" @default.
• W4296690699 type Work @default.
• W4296690699 citedByCount "1" @default.
• W4296690699 countsByYear W42966906992023 @default.
• W4296690699 crossrefType "journal-article" @default.
• W4296690699 hasAuthorship W4296690699A5016954281 @default.
• W4296690699 hasBestOaLocation W42966906992 @default.
• W4296690699 hasConcept C112887158 @default.
• W4296690699 hasConcept C130188946 @default.
• W4296690699 hasConcept C137277065 @default.
• W4296690699 hasConcept C147597530 @default.
• W4296690699 hasConcept C149635348 @default.
• W4296690699 hasConcept C152365726 @default.
• W4296690699 hasConcept C178790620 @default.
• W4296690699 hasConcept C179104552 @default.
• W4296690699 hasConcept C183882617 @default.
• W4296690699 hasConcept C185592680 @default.
• W4296690699 hasConcept C188027245 @default.
• W4296690699 hasConcept C2780378348 @default.
• W4296690699 hasConcept C32909587 @default.
• W4296690699 hasConcept C41008148 @default.
• W4296690699 hasConcept C534791751 @default.

• next