Matches in SemOpenAlex for { <https://semopenalex.org/work/W1973671411> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W1973671411 endingPage "302" @default.
- W1973671411 startingPage "293" @default.
- W1973671411 abstract "The spectroscopic parameters and anharmonic force fields of three isomers (c-H2C3O, HCCCHO and CH2CCO) of C3H2O have been calculated by Density Functional Theory (B3LYP, CAM-B3LYP, wB97XD) and second-order Møller-Plesset perturbation theory (MP2) combining with 6–311++G (3df, 3pd) and aug-cc-pVTZ basis sets. The equilibrium geometries, energies, rotational constants, harmonic and fundamental frequencies, and centrifugal distortion constants of three isomers of C3H2O are calculated and compared with the existed results. The anharmonic constants, vibration–rotation interaction constants, Coriolis coupling constants and force constants of three isomers of C3H2O are firstly predicted. The ingredients of complex vibration modes, and infrared spectral characteristics of three isomers as well as the relationship between structure and spectroscopic properties are detailedly discussed." @default.
- W1973671411 created "2016-06-24" @default.
- W1973671411 creator A5024414057 @default.
- W1973671411 date "1983-02-01" @default.
- W1973671411 modified "2023-10-14" @default.
- W1973671411 title "The peculiar structure of propadienone (H2C3O)" @default.
- W1973671411 cites W1965365238 @default.
- W1973671411 cites W1999874288 @default.
- W1973671411 cites W2042193820 @default.
- W1973671411 cites W2053611193 @default.
- W1973671411 cites W2062503211 @default.
- W1973671411 cites W2075843552 @default.
- W1973671411 cites W2331883083 @default.
- W1973671411 cites W3004508219 @default.
- W1973671411 cites W3004662627 @default.
- W1973671411 cites W3004946618 @default.
- W1973671411 doi "https://doi.org/10.1016/0022-2860(83)90206-5" @default.
- W1973671411 hasPublicationYear "1983" @default.
- W1973671411 type Work @default.
- W1973671411 sameAs 1973671411 @default.
- W1973671411 citedByCount "12" @default.
- W1973671411 countsByYear W19736714112016 @default.
- W1973671411 countsByYear W19736714112022 @default.
- W1973671411 crossrefType "journal-article" @default.
- W1973671411 hasAuthorship W1973671411A5024414057 @default.
- W1973671411 hasConcept C121332964 @default.
- W1973671411 hasConcept C126780896 @default.
- W1973671411 hasConcept C147597530 @default.
- W1973671411 hasConcept C147724859 @default.
- W1973671411 hasConcept C152365726 @default.
- W1973671411 hasConcept C158355884 @default.
- W1973671411 hasConcept C174256460 @default.
- W1973671411 hasConcept C178790620 @default.
- W1973671411 hasConcept C183276030 @default.
- W1973671411 hasConcept C184779094 @default.
- W1973671411 hasConcept C185592680 @default.
- W1973671411 hasConcept C194257627 @default.
- W1973671411 hasConcept C198394728 @default.
- W1973671411 hasConcept C2992321928 @default.
- W1973671411 hasConcept C32909587 @default.
- W1973671411 hasConcept C41999313 @default.
- W1973671411 hasConcept C46362747 @default.
- W1973671411 hasConcept C49040817 @default.
- W1973671411 hasConcept C62520636 @default.
- W1973671411 hasConceptScore W1973671411C121332964 @default.
- W1973671411 hasConceptScore W1973671411C126780896 @default.
- W1973671411 hasConceptScore W1973671411C147597530 @default.
- W1973671411 hasConceptScore W1973671411C147724859 @default.
- W1973671411 hasConceptScore W1973671411C152365726 @default.
- W1973671411 hasConceptScore W1973671411C158355884 @default.
- W1973671411 hasConceptScore W1973671411C174256460 @default.
- W1973671411 hasConceptScore W1973671411C178790620 @default.
- W1973671411 hasConceptScore W1973671411C183276030 @default.
- W1973671411 hasConceptScore W1973671411C184779094 @default.
- W1973671411 hasConceptScore W1973671411C185592680 @default.
- W1973671411 hasConceptScore W1973671411C194257627 @default.
- W1973671411 hasConceptScore W1973671411C198394728 @default.
- W1973671411 hasConceptScore W1973671411C2992321928 @default.
- W1973671411 hasConceptScore W1973671411C32909587 @default.
- W1973671411 hasConceptScore W1973671411C41999313 @default.
- W1973671411 hasConceptScore W1973671411C46362747 @default.
- W1973671411 hasConceptScore W1973671411C49040817 @default.
- W1973671411 hasConceptScore W1973671411C62520636 @default.
- W1973671411 hasLocation W19736714111 @default.
- W1973671411 hasOpenAccess W1973671411 @default.
- W1973671411 hasPrimaryLocation W19736714111 @default.
- W1973671411 hasRelatedWork W1966762517 @default.
- W1973671411 hasRelatedWork W1968999658 @default.
- W1973671411 hasRelatedWork W1997319747 @default.
- W1973671411 hasRelatedWork W2010496927 @default.
- W1973671411 hasRelatedWork W2016886307 @default.
- W1973671411 hasRelatedWork W2018910327 @default.
- W1973671411 hasRelatedWork W2071033027 @default.
- W1973671411 hasRelatedWork W2079144079 @default.
- W1973671411 hasRelatedWork W4311962888 @default.
- W1973671411 hasRelatedWork W4382982185 @default.
- W1973671411 hasVolume "97" @default.
- W1973671411 isParatext "false" @default.
- W1973671411 isRetracted "false" @default.
- W1973671411 magId "1973671411" @default.
- W1973671411 workType "article" @default.