Matches in SemOpenAlex for { <https://semopenalex.org/work/W1636692293> ?p ?o ?g. }
Showing items 1 to 83 of
83
with 100 items per page.
- W1636692293 endingPage "8220" @default.
- W1636692293 startingPage "8212" @default.
- W1636692293 abstract "Density functional theory has been used to investigate the geometries, vibrational frequencies, rotational constants, and dipole moments of the C9H3, C11H3, and C13H3 radicals. Vertical electronic transition energies of C9H3, C11H3, and C13H3 are calculated by the time-dependent density functional theory. Present results show that the most stable arrangements of C9H3, C11H3, and C13H3 are H2C9H, H2C11H, and H2C13H with a C2v symmetry, respectively. Such lowest-energy isomers have an obvious single and triple bond alternation carbon chain. Their isomers HC4(HC)C4H, HC4[C(C2H)]C4H, and C(C4H)3 are predicted to have vibrational frequencies and vertical excitation energies in good agreement with experimental observations. HC4(HC)C4H, HC4[C(C2H)]C4H, and C(C4H)3 have similar trigonal structure, which gives rise to the remarkably similar spectroscopic features as obtained experimentally. On the basis of present calculations, the isomers HC4(HC)C4H, HC4[C(C2H)]C4H, and C(C4H)3 of C9H3, C11H3, and C13H3 radicals are most likely the carriers of the observed spectra." @default.
- W1636692293 created "2016-06-24" @default.
- W1636692293 creator A5091783011 @default.
- W1636692293 date "2004-10-26" @default.
- W1636692293 modified "2023-09-27" @default.
- W1636692293 title "Structure, stability, and spectra of C[sub 9]H[sub 3], C[sub 11]H[sub 3], and C[sub 13]H[sub 3] radicals" @default.
- W1636692293 cites W1570497558 @default.
- W1636692293 cites W1583155825 @default.
- W1636692293 cites W1614232274 @default.
- W1636692293 cites W1968736794 @default.
- W1636692293 cites W1969560927 @default.
- W1636692293 cites W1977780379 @default.
- W1636692293 cites W1993700937 @default.
- W1636692293 cites W2002097418 @default.
- W1636692293 cites W2002504064 @default.
- W1636692293 cites W2003971192 @default.
- W1636692293 cites W2011400803 @default.
- W1636692293 cites W2040728602 @default.
- W1636692293 cites W2043184380 @default.
- W1636692293 cites W2053239807 @default.
- W1636692293 cites W2072465872 @default.
- W1636692293 cites W2075069145 @default.
- W1636692293 cites W2075938678 @default.
- W1636692293 cites W2088539680 @default.
- W1636692293 cites W2108792685 @default.
- W1636692293 cites W2160091580 @default.
- W1636692293 cites W4231029429 @default.
- W1636692293 doi "https://doi.org/10.1063/1.1804176" @default.
- W1636692293 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15511140" @default.
- W1636692293 hasPublicationYear "2004" @default.
- W1636692293 type Work @default.
- W1636692293 sameAs 1636692293 @default.
- W1636692293 citedByCount "6" @default.
- W1636692293 countsByYear W16366922932012 @default.
- W1636692293 countsByYear W16366922932016 @default.
- W1636692293 crossrefType "journal-article" @default.
- W1636692293 hasAuthorship W1636692293A5091783011 @default.
- W1636692293 hasConcept C121332964 @default.
- W1636692293 hasConcept C1276947 @default.
- W1636692293 hasConcept C139066938 @default.
- W1636692293 hasConcept C147597530 @default.
- W1636692293 hasConcept C152365726 @default.
- W1636692293 hasConcept C173523689 @default.
- W1636692293 hasConcept C178790620 @default.
- W1636692293 hasConcept C184779094 @default.
- W1636692293 hasConcept C185592680 @default.
- W1636692293 hasConcept C4839761 @default.
- W1636692293 hasConcept C62520636 @default.
- W1636692293 hasConcept C83581075 @default.
- W1636692293 hasConceptScore W1636692293C121332964 @default.
- W1636692293 hasConceptScore W1636692293C1276947 @default.
- W1636692293 hasConceptScore W1636692293C139066938 @default.
- W1636692293 hasConceptScore W1636692293C147597530 @default.
- W1636692293 hasConceptScore W1636692293C152365726 @default.
- W1636692293 hasConceptScore W1636692293C173523689 @default.
- W1636692293 hasConceptScore W1636692293C178790620 @default.
- W1636692293 hasConceptScore W1636692293C184779094 @default.
- W1636692293 hasConceptScore W1636692293C185592680 @default.
- W1636692293 hasConceptScore W1636692293C4839761 @default.
- W1636692293 hasConceptScore W1636692293C62520636 @default.
- W1636692293 hasConceptScore W1636692293C83581075 @default.
- W1636692293 hasIssue "17" @default.
- W1636692293 hasLocation W16366922931 @default.
- W1636692293 hasLocation W16366922932 @default.
- W1636692293 hasOpenAccess W1636692293 @default.
- W1636692293 hasPrimaryLocation W16366922931 @default.
- W1636692293 hasRelatedWork W2061908415 @default.
- W1636692293 hasRelatedWork W2063240841 @default.
- W1636692293 hasRelatedWork W2084186860 @default.
- W1636692293 hasRelatedWork W2949166972 @default.
- W1636692293 hasRelatedWork W2949777230 @default.
- W1636692293 hasRelatedWork W2950940816 @default.
- W1636692293 hasRelatedWork W2951783665 @default.
- W1636692293 hasRelatedWork W3119593865 @default.
- W1636692293 hasRelatedWork W4300128885 @default.
- W1636692293 hasRelatedWork W2075336884 @default.
- W1636692293 hasVolume "121" @default.
- W1636692293 isParatext "false" @default.
- W1636692293 isRetracted "false" @default.
- W1636692293 magId "1636692293" @default.
- W1636692293 workType "article" @default.