Matches in SemOpenAlex for { <https://semopenalex.org/work/W2005646237> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W2005646237 endingPage "4452" @default.
- W2005646237 startingPage "4446" @default.
- W2005646237 abstract "Molecular dynamics simulation has been used to investigate the infrared spectra of ordered and disordered benzoic acid crystals consisting of various proportions of the A and B configurations, whose C–O and C=O bonds are approximately parallel to the a axis, respectively. The simulation reproduced well the splitting and the temperature dependence in intensity for the C=O stretching bands observed. The absorption coefficient of the lower frequency band was simulated as several times larger than that of the higher frequency band in accord with the observed. To interpret this peculiar result of the molecular dynamics simulation, a simple calculation of the band splitting has been made in terms of the transition dipole–transition dipole interaction. It has been shown that the interaction is an essential factor to produce the large difference in intensity and the splitting for the C=O stretching bands. The higher and lower bands are interpreted as due to the A configuration reduced in intensity by the B form, and due to the B form enhanced in intensity by the A form, respectively. Compression effect in the O⋅⋅⋅O distance of the hydrogen bond is also studied in comparison with the observed value." @default.
- W2005646237 created "2016-06-24" @default.
- W2005646237 creator A5012070265 @default.
- W2005646237 creator A5023362937 @default.
- W2005646237 creator A5034244164 @default.
- W2005646237 creator A5036927250 @default.
- W2005646237 date "1991-03-15" @default.
- W2005646237 modified "2023-10-16" @default.
- W2005646237 title "Interpretation for the anomaly of the C=O stretching band in benzoic acid crystal" @default.
- W2005646237 cites W1970690534 @default.
- W2005646237 cites W2005558472 @default.
- W2005646237 cites W2040128642 @default.
- W2005646237 cites W2049883071 @default.
- W2005646237 cites W2088987571 @default.
- W2005646237 cites W2092852060 @default.
- W2005646237 doi "https://doi.org/10.1063/1.460634" @default.
- W2005646237 hasPublicationYear "1991" @default.
- W2005646237 type Work @default.
- W2005646237 sameAs 2005646237 @default.
- W2005646237 citedByCount "27" @default.
- W2005646237 countsByYear W20056462372015 @default.
- W2005646237 countsByYear W20056462372016 @default.
- W2005646237 countsByYear W20056462372020 @default.
- W2005646237 countsByYear W20056462372022 @default.
- W2005646237 crossrefType "journal-article" @default.
- W2005646237 hasAuthorship W2005646237A5012070265 @default.
- W2005646237 hasAuthorship W2005646237A5023362937 @default.
- W2005646237 hasAuthorship W2005646237A5034244164 @default.
- W2005646237 hasAuthorship W2005646237A5036927250 @default.
- W2005646237 hasConcept C112887158 @default.
- W2005646237 hasConcept C119824511 @default.
- W2005646237 hasConcept C120665830 @default.
- W2005646237 hasConcept C121332964 @default.
- W2005646237 hasConcept C1276947 @default.
- W2005646237 hasConcept C12997251 @default.
- W2005646237 hasConcept C147597530 @default.
- W2005646237 hasConcept C173523689 @default.
- W2005646237 hasConcept C178790620 @default.
- W2005646237 hasConcept C185592680 @default.
- W2005646237 hasConcept C191274033 @default.
- W2005646237 hasConcept C199360897 @default.
- W2005646237 hasConcept C26873012 @default.
- W2005646237 hasConcept C2778844314 @default.
- W2005646237 hasConcept C2781285689 @default.
- W2005646237 hasConcept C32909587 @default.
- W2005646237 hasConcept C41008148 @default.
- W2005646237 hasConcept C41999313 @default.
- W2005646237 hasConcept C4839761 @default.
- W2005646237 hasConcept C59593255 @default.
- W2005646237 hasConcept C8010536 @default.
- W2005646237 hasConcept C93038891 @default.
- W2005646237 hasConceptScore W2005646237C112887158 @default.
- W2005646237 hasConceptScore W2005646237C119824511 @default.
- W2005646237 hasConceptScore W2005646237C120665830 @default.
- W2005646237 hasConceptScore W2005646237C121332964 @default.
- W2005646237 hasConceptScore W2005646237C1276947 @default.
- W2005646237 hasConceptScore W2005646237C12997251 @default.
- W2005646237 hasConceptScore W2005646237C147597530 @default.
- W2005646237 hasConceptScore W2005646237C173523689 @default.
- W2005646237 hasConceptScore W2005646237C178790620 @default.
- W2005646237 hasConceptScore W2005646237C185592680 @default.
- W2005646237 hasConceptScore W2005646237C191274033 @default.
- W2005646237 hasConceptScore W2005646237C199360897 @default.
- W2005646237 hasConceptScore W2005646237C26873012 @default.
- W2005646237 hasConceptScore W2005646237C2778844314 @default.
- W2005646237 hasConceptScore W2005646237C2781285689 @default.
- W2005646237 hasConceptScore W2005646237C32909587 @default.
- W2005646237 hasConceptScore W2005646237C41008148 @default.
- W2005646237 hasConceptScore W2005646237C41999313 @default.
- W2005646237 hasConceptScore W2005646237C4839761 @default.
- W2005646237 hasConceptScore W2005646237C59593255 @default.
- W2005646237 hasConceptScore W2005646237C8010536 @default.
- W2005646237 hasConceptScore W2005646237C93038891 @default.
- W2005646237 hasIssue "6" @default.
- W2005646237 hasLocation W20056462371 @default.
- W2005646237 hasOpenAccess W2005646237 @default.
- W2005646237 hasPrimaryLocation W20056462371 @default.
- W2005646237 hasRelatedWork W1999948246 @default.
- W2005646237 hasRelatedWork W2001296842 @default.
- W2005646237 hasRelatedWork W2016564957 @default.
- W2005646237 hasRelatedWork W2018184473 @default.
- W2005646237 hasRelatedWork W2055212698 @default.
- W2005646237 hasRelatedWork W2083653161 @default.
- W2005646237 hasRelatedWork W2354498733 @default.
- W2005646237 hasRelatedWork W2418350602 @default.
- W2005646237 hasRelatedWork W2810575841 @default.
- W2005646237 hasRelatedWork W3044895572 @default.
- W2005646237 hasVolume "94" @default.
- W2005646237 isParatext "false" @default.
- W2005646237 isRetracted "false" @default.
- W2005646237 magId "2005646237" @default.
- W2005646237 workType "article" @default.