Matches in SemOpenAlex for { <https://semopenalex.org/work/W2060873192> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W2060873192 endingPage "656" @default.
- W2060873192 startingPage "647" @default.
- W2060873192 abstract "Nuclear quadrupole coupling constant, χ, and asymmetry parameter, η, of 14 N nucleus and 13 C , 1 H , and 15 N chemical shifts for cyclotrisazobenzene at the level of B3LYP and MP2 methods have been studied using the Gaussian 98 suite of programs. Also, nuclear quadrupole resonance (NQR) frequencies (ν 0 , ν + , ν - ) for 14 N have been calculated, thoroughly. The optimized structure of the compound was very similar to that given by the X-ray crystallographic data. The electric field gradient (EFG) calculation verified that the N = N bonds are highly localized in this molecule; therefore, electron-pairs of the nitrogen atoms remain nonbonding. The comparison of the calculated chemical shifts with the experimental values for cyclotrisazobenzene shows no significant structural changes in solution." @default.
- W2060873192 created "2016-06-24" @default.
- W2060873192 creator A5002533369 @default.
- W2060873192 creator A5018134736 @default.
- W2060873192 creator A5049427989 @default.
- W2060873192 date "2009-08-01" @default.
- W2060873192 modified "2023-09-26" @default.
- W2060873192 title "AB INITIO CALCULATIONS OF 14N NQR PARAMETERS AND 13C, 1H, AND 15N CHEMICAL SHIFTS INCLUDING A COMPARISON WITH EXPERIMENTAL NMR DATA FOR CYCLOTRISAZOBENZENE" @default.
- W2060873192 cites W1676912961 @default.
- W2060873192 cites W1967189216 @default.
- W2060873192 cites W2017774633 @default.
- W2060873192 cites W2021291979 @default.
- W2060873192 cites W2027259847 @default.
- W2060873192 cites W2032481668 @default.
- W2060873192 cites W2044951879 @default.
- W2060873192 cites W2046010000 @default.
- W2060873192 cites W2046357392 @default.
- W2060873192 cites W2063654848 @default.
- W2060873192 cites W2063713683 @default.
- W2060873192 cites W2082262161 @default.
- W2060873192 cites W2093138046 @default.
- W2060873192 cites W2108552726 @default.
- W2060873192 doi "https://doi.org/10.1142/s0219633609004988" @default.
- W2060873192 hasPublicationYear "2009" @default.
- W2060873192 type Work @default.
- W2060873192 sameAs 2060873192 @default.
- W2060873192 citedByCount "1" @default.
- W2060873192 countsByYear W20608731922013 @default.
- W2060873192 crossrefType "journal-article" @default.
- W2060873192 hasAuthorship W2060873192A5002533369 @default.
- W2060873192 hasAuthorship W2060873192A5018134736 @default.
- W2060873192 hasAuthorship W2060873192A5049427989 @default.
- W2060873192 hasConcept C109214941 @default.
- W2060873192 hasConcept C111429119 @default.
- W2060873192 hasConcept C121332964 @default.
- W2060873192 hasConcept C147597530 @default.
- W2060873192 hasConcept C147789679 @default.
- W2060873192 hasConcept C163716315 @default.
- W2060873192 hasConcept C168384580 @default.
- W2060873192 hasConcept C178790620 @default.
- W2060873192 hasConcept C183276030 @default.
- W2060873192 hasConcept C183971685 @default.
- W2060873192 hasConcept C184779094 @default.
- W2060873192 hasConcept C185592680 @default.
- W2060873192 hasConcept C2778981401 @default.
- W2060873192 hasConcept C2781442258 @default.
- W2060873192 hasConcept C32909587 @default.
- W2060873192 hasConcept C38976095 @default.
- W2060873192 hasConcept C39984356 @default.
- W2060873192 hasConcept C41999313 @default.
- W2060873192 hasConcept C46141821 @default.
- W2060873192 hasConcept C62520636 @default.
- W2060873192 hasConceptScore W2060873192C109214941 @default.
- W2060873192 hasConceptScore W2060873192C111429119 @default.
- W2060873192 hasConceptScore W2060873192C121332964 @default.
- W2060873192 hasConceptScore W2060873192C147597530 @default.
- W2060873192 hasConceptScore W2060873192C147789679 @default.
- W2060873192 hasConceptScore W2060873192C163716315 @default.
- W2060873192 hasConceptScore W2060873192C168384580 @default.
- W2060873192 hasConceptScore W2060873192C178790620 @default.
- W2060873192 hasConceptScore W2060873192C183276030 @default.
- W2060873192 hasConceptScore W2060873192C183971685 @default.
- W2060873192 hasConceptScore W2060873192C184779094 @default.
- W2060873192 hasConceptScore W2060873192C185592680 @default.
- W2060873192 hasConceptScore W2060873192C2778981401 @default.
- W2060873192 hasConceptScore W2060873192C2781442258 @default.
- W2060873192 hasConceptScore W2060873192C32909587 @default.
- W2060873192 hasConceptScore W2060873192C38976095 @default.
- W2060873192 hasConceptScore W2060873192C39984356 @default.
- W2060873192 hasConceptScore W2060873192C41999313 @default.
- W2060873192 hasConceptScore W2060873192C46141821 @default.
- W2060873192 hasConceptScore W2060873192C62520636 @default.
- W2060873192 hasIssue "04" @default.
- W2060873192 hasLocation W20608731921 @default.
- W2060873192 hasOpenAccess W2060873192 @default.
- W2060873192 hasPrimaryLocation W20608731921 @default.
- W2060873192 hasRelatedWork W1987216075 @default.
- W2060873192 hasRelatedWork W2029529832 @default.
- W2060873192 hasRelatedWork W2031335255 @default.
- W2060873192 hasRelatedWork W2060873192 @default.
- W2060873192 hasRelatedWork W2086692973 @default.
- W2060873192 hasRelatedWork W2103763591 @default.
- W2060873192 hasRelatedWork W2145147739 @default.
- W2060873192 hasRelatedWork W2158843318 @default.
- W2060873192 hasRelatedWork W2887416582 @default.
- W2060873192 hasRelatedWork W2083448486 @default.
- W2060873192 hasVolume "08" @default.
- W2060873192 isParatext "false" @default.
- W2060873192 isRetracted "false" @default.
- W2060873192 magId "2060873192" @default.
- W2060873192 workType "article" @default.