Matches in SemOpenAlex for { <https://semopenalex.org/work/W2035269596> ?p ?o ?g. }
- W2035269596 endingPage "556" @default.
- W2035269596 startingPage "547" @default.
- W2035269596 abstract "A CCSD and CCSD (T) investigation of carbonyl oxide (1) and its cyclic isomer dioxirane (2) has been carried out employing DZ + P and TZ + 2P basis sets. Calculated geometries, charge distributions, and dipole moments suggest that 1 possesses more zwitterionic character (CCSD (T) dipole moment 4 D) than has been predicted. 1 can be distinguished from 2 by its infrared spectrum as indicated by CCSD (T) frequencies, intensities, and isotopic shifts. The heats of formation ΔH0f (298) for 1 and 2 are 30.2 and 6.0 kcal/mol, respectively; the CCSD (T) barrier to isomerization from 1 to 2 is 19.2 kcal/mol. Decomposition of 1 and 2 can lead to CO, CO2, H2O, H2 but not to free CH2, O2 or O. Both isomers should be powerful epoxidation agents in the presence of alkenes, but they should differ in their ability to form cyclopropanes with alkenes." @default.
- W2035269596 created "2016-06-24" @default.
- W2035269596 creator A5001279277 @default.
- W2035269596 creator A5026154227 @default.
- W2035269596 creator A5027671553 @default.
- W2035269596 creator A5088187289 @default.
- W2035269596 date "1993-07-01" @default.
- W2035269596 modified "2023-10-16" @default.
- W2035269596 title "A CCSD (T) investigation of carbonyl oxide and dioxirane. Equilibrium geometries, dipole moments, infrared spectra, heats of formation and isomerization energies" @default.
- W2035269596 cites W1963486098 @default.
- W2035269596 cites W1963569388 @default.
- W2035269596 cites W1965405427 @default.
- W2035269596 cites W1966678782 @default.
- W2035269596 cites W1973519836 @default.
- W2035269596 cites W1990211446 @default.
- W2035269596 cites W1990377922 @default.
- W2035269596 cites W1992699510 @default.
- W2035269596 cites W1994821533 @default.
- W2035269596 cites W2000801211 @default.
- W2035269596 cites W2002079508 @default.
- W2035269596 cites W2002144809 @default.
- W2035269596 cites W2002437836 @default.
- W2035269596 cites W2003183213 @default.
- W2035269596 cites W2003339552 @default.
- W2035269596 cites W2009742456 @default.
- W2035269596 cites W2010630535 @default.
- W2035269596 cites W2012458244 @default.
- W2035269596 cites W2012606181 @default.
- W2035269596 cites W2019544436 @default.
- W2035269596 cites W2019654276 @default.
- W2035269596 cites W2021577423 @default.
- W2035269596 cites W2031488855 @default.
- W2035269596 cites W2031856796 @default.
- W2035269596 cites W2034515987 @default.
- W2035269596 cites W2036606454 @default.
- W2035269596 cites W2045595265 @default.
- W2035269596 cites W2049218762 @default.
- W2035269596 cites W2058504095 @default.
- W2035269596 cites W2062340785 @default.
- W2035269596 cites W2063366716 @default.
- W2035269596 cites W2068957070 @default.
- W2035269596 cites W2069326762 @default.
- W2035269596 cites W2077655725 @default.
- W2035269596 cites W2080943897 @default.
- W2035269596 cites W2082021447 @default.
- W2035269596 cites W2082627336 @default.
- W2035269596 cites W2086792407 @default.
- W2035269596 cites W2088375991 @default.
- W2035269596 cites W2092587182 @default.
- W2035269596 cites W2092930273 @default.
- W2035269596 cites W2133663491 @default.
- W2035269596 cites W2133938498 @default.
- W2035269596 cites W2152151125 @default.
- W2035269596 cites W2313614050 @default.
- W2035269596 cites W2316190138 @default.
- W2035269596 cites W2917745643 @default.
- W2035269596 cites W2950503011 @default.
- W2035269596 cites W2951508290 @default.
- W2035269596 cites W3004684223 @default.
- W2035269596 cites W3004930033 @default.
- W2035269596 cites W4252598364 @default.
- W2035269596 doi "https://doi.org/10.1016/0009-2614(93)80131-8" @default.
- W2035269596 hasPublicationYear "1993" @default.
- W2035269596 type Work @default.
- W2035269596 sameAs 2035269596 @default.
- W2035269596 citedByCount "154" @default.
- W2035269596 countsByYear W20352695962012 @default.
- W2035269596 countsByYear W20352695962013 @default.
- W2035269596 countsByYear W20352695962014 @default.
- W2035269596 countsByYear W20352695962015 @default.
- W2035269596 countsByYear W20352695962016 @default.
- W2035269596 countsByYear W20352695962017 @default.
- W2035269596 countsByYear W20352695962018 @default.
- W2035269596 countsByYear W20352695962019 @default.
- W2035269596 countsByYear W20352695962020 @default.
- W2035269596 countsByYear W20352695962021 @default.
- W2035269596 countsByYear W20352695962022 @default.
- W2035269596 countsByYear W20352695962023 @default.
- W2035269596 crossrefType "journal-article" @default.
- W2035269596 hasAuthorship W2035269596A5001279277 @default.
- W2035269596 hasAuthorship W2035269596A5026154227 @default.
- W2035269596 hasAuthorship W2035269596A5027671553 @default.
- W2035269596 hasAuthorship W2035269596A5088187289 @default.
- W2035269596 hasConcept C120665830 @default.
- W2035269596 hasConcept C121332964 @default.
- W2035269596 hasConcept C124681953 @default.
- W2035269596 hasConcept C126661725 @default.
- W2035269596 hasConcept C147597530 @default.
- W2035269596 hasConcept C147789679 @default.
- W2035269596 hasConcept C158355884 @default.
- W2035269596 hasConcept C161790260 @default.
- W2035269596 hasConcept C173523689 @default.
- W2035269596 hasConcept C178790620 @default.
- W2035269596 hasConcept C185592680 @default.
- W2035269596 hasConcept C2776130953 @default.
- W2035269596 hasConceptScore W2035269596C120665830 @default.
- W2035269596 hasConceptScore W2035269596C121332964 @default.
- W2035269596 hasConceptScore W2035269596C124681953 @default.