Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000840982> ?p ?o ?g. }
Showing items 1 to 68 of
68
with 100 items per page.
- W2000840982 endingPage "56" @default.
- W2000840982 startingPage "45" @default.
- W2000840982 abstract "Abstract The gas phase IR spectrum of isothiazole, C 3 H 3 NS, between 550 and 1700 cm −1 was recorded with a resolution of ca. 0.003 cm −1 . The rotational structure of seven fundamental bands in the region 750–1500 cm −1 has been assigned and analysed by the Watson Hamiltonian model. A number of local resonances in the bands have been identified and explained qualitatively in terms of Coriolis interactions. For each band upper state spectroscopic constants, including band center, rotational constants, and quartic centrifugal distortion constants are given. From observed crossings due to resonances we locate the weak bands ν 9 ( A ′) and ν 13 ( A ′) at 1041.9(2) and 642.0(3) cm −1 , respectively. The anharmonic frequencies have been determined using a cc-pVTZ basis set, at the MP2 and B3LYP levels; the two theoretical methods give very similar results for rotational constants, anharmonic band center frequencies and distortion constants, and many of these are in good agreement with experiment." @default.
- W2000840982 created "2016-06-24" @default.
- W2000840982 creator A5035264109 @default.
- W2000840982 creator A5067877787 @default.
- W2000840982 creator A5075823047 @default.
- W2000840982 creator A5080941592 @default.
- W2000840982 date "2006-01-01" @default.
- W2000840982 modified "2023-10-05" @default.
- W2000840982 title "High-resolution infrared analysis of seven fundamental bands of gaseous isothiazole between 750 and 1500cm−1" @default.
- W2000840982 cites W2062606596 @default.
- W2000840982 cites W2069006374 @default.
- W2000840982 cites W3096378285 @default.
- W2000840982 doi "https://doi.org/10.1016/j.molstruc.2005.03.053" @default.
- W2000840982 hasPublicationYear "2006" @default.
- W2000840982 type Work @default.
- W2000840982 sameAs 2000840982 @default.
- W2000840982 citedByCount "7" @default.
- W2000840982 crossrefType "journal-article" @default.
- W2000840982 hasAuthorship W2000840982A5035264109 @default.
- W2000840982 hasAuthorship W2000840982A5067877787 @default.
- W2000840982 hasAuthorship W2000840982A5075823047 @default.
- W2000840982 hasAuthorship W2000840982A5080941592 @default.
- W2000840982 hasConcept C113196181 @default.
- W2000840982 hasConcept C120665830 @default.
- W2000840982 hasConcept C121332964 @default.
- W2000840982 hasConcept C127313418 @default.
- W2000840982 hasConcept C138268822 @default.
- W2000840982 hasConcept C154945302 @default.
- W2000840982 hasConcept C158355884 @default.
- W2000840982 hasConcept C178790620 @default.
- W2000840982 hasConcept C185592680 @default.
- W2000840982 hasConcept C2781209517 @default.
- W2000840982 hasConcept C3020199158 @default.
- W2000840982 hasConcept C41008148 @default.
- W2000840982 hasConcept C62649853 @default.
- W2000840982 hasConceptScore W2000840982C113196181 @default.
- W2000840982 hasConceptScore W2000840982C120665830 @default.
- W2000840982 hasConceptScore W2000840982C121332964 @default.
- W2000840982 hasConceptScore W2000840982C127313418 @default.
- W2000840982 hasConceptScore W2000840982C138268822 @default.
- W2000840982 hasConceptScore W2000840982C154945302 @default.
- W2000840982 hasConceptScore W2000840982C158355884 @default.
- W2000840982 hasConceptScore W2000840982C178790620 @default.
- W2000840982 hasConceptScore W2000840982C185592680 @default.
- W2000840982 hasConceptScore W2000840982C2781209517 @default.
- W2000840982 hasConceptScore W2000840982C3020199158 @default.
- W2000840982 hasConceptScore W2000840982C41008148 @default.
- W2000840982 hasConceptScore W2000840982C62649853 @default.
- W2000840982 hasLocation W20008409821 @default.
- W2000840982 hasOpenAccess W2000840982 @default.
- W2000840982 hasPrimaryLocation W20008409821 @default.
- W2000840982 hasRelatedWork W1992519589 @default.
- W2000840982 hasRelatedWork W2007989246 @default.
- W2000840982 hasRelatedWork W2043879283 @default.
- W2000840982 hasRelatedWork W2070855192 @default.
- W2000840982 hasRelatedWork W2071576954 @default.
- W2000840982 hasRelatedWork W2076070116 @default.
- W2000840982 hasRelatedWork W2101230094 @default.
- W2000840982 hasRelatedWork W2149542932 @default.
- W2000840982 hasRelatedWork W2950495603 @default.
- W2000840982 hasRelatedWork W4212954839 @default.
- W2000840982 hasVolume "780-781" @default.
- W2000840982 isParatext "false" @default.
- W2000840982 isRetracted "false" @default.
- W2000840982 magId "2000840982" @default.
- W2000840982 workType "article" @default.