FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2052806006> ?p ?o ?g. }

• W2052806006 endingPage "404" @default.
• W2052806006 startingPage "394" @default.
• W2052806006 abstract "Molecular structure and vibrational frequencies of 1,3-diphenyl-1,3-propanedione, known as dibenzoylmethane (DBM), have been investigated by means of density functional theory (DFT) calculations. The results were compared with those of benzoylacetone (BA) and acetylacetone (AA), the parent molecule. IR and Raman spectra of DBM and its deuterated analogue were clearly assigned.The calculated hydrogen bond energy of DBM is 16.15 kcal/mol, calculated at B3LYP/6-311++G** level of theory, which is 0.28 kcal/mol more than that of AA. This result is in agreement with the vibrational and NMR spectroscopy results. The molecular stability and the hydrogen bond strength were investigated by applying the Natural Bond Orbital analysis (NBO) and geometry calculations. The theoretical calculations indicate that the hydrogen bond in DBM is relatively stronger than that in BA and AA." @default.
• W2052806006 created "2016-06-24" @default.
• W2052806006 creator A5009430254 @default.
• W2052806006 creator A5010408657 @default.
• W2052806006 creator A5063313167 @default.
• W2052806006 creator A5078573469 @default.
• W2052806006 creator A5089281789 @default.
• W2052806006 date "2007-02-01" @default.
• W2052806006 modified "2023-09-26" @default.
• W2052806006 title "Vibrational assignment and structure of dibenzoylmethane" @default.
• W2052806006 cites W1966839533 @default.
• W2052806006 cites W1967685864 @default.
• W2052806006 cites W1969669800 @default.
• W2052806006 cites W1982315927 @default.
• W2052806006 cites W1985336729 @default.
• W2052806006 cites W1988038712 @default.
• W2052806006 cites W1993568505 @default.
• W2052806006 cites W1999225355 @default.
• W2052806006 cites W1999891305 @default.
• W2052806006 cites W2005965479 @default.
• W2052806006 cites W2016421012 @default.
• W2052806006 cites W2023271753 @default.
• W2052806006 cites W2038321571 @default.
• W2052806006 cites W2038767330 @default.
• W2052806006 cites W2042944554 @default.
• W2052806006 cites W2047326782 @default.
• W2052806006 cites W2049162161 @default.
• W2052806006 cites W2057086596 @default.
• W2052806006 cites W2064149445 @default.
• W2052806006 cites W2064778177 @default.
• W2052806006 cites W2065929897 @default.
• W2052806006 cites W2069801184 @default.
• W2052806006 cites W2076132726 @default.
• W2052806006 cites W2076726565 @default.
• W2052806006 cites W2088355472 @default.
• W2052806006 cites W2092747029 @default.
• W2052806006 cites W2094997771 @default.
• W2052806006 cites W2101032494 @default.
• W2052806006 cites W2111866285 @default.
• W2052806006 cites W2143981217 @default.
• W2052806006 cites W2155986318 @default.
• W2052806006 cites W2165830969 @default.
• W2052806006 cites W2317921696 @default.
• W2052806006 cites W2949264914 @default.
• W2052806006 cites W2950466584 @default.
• W2052806006 cites W3005246947 @default.
• W2052806006 cites W4242451222 @default.
• W2052806006 cites W574463664 @default.
• W2052806006 doi "https://doi.org/10.1016/j.saa.2006.03.010" @default.
• W2052806006 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16843716" @default.
• W2052806006 hasPublicationYear "2007" @default.
• W2052806006 type Work @default.
• W2052806006 sameAs 2052806006 @default.
• W2052806006 citedByCount "58" @default.
• W2052806006 countsByYear W20528060062012 @default.
• W2052806006 countsByYear W20528060062013 @default.
• W2052806006 countsByYear W20528060062014 @default.
• W2052806006 countsByYear W20528060062015 @default.
• W2052806006 countsByYear W20528060062016 @default.
• W2052806006 countsByYear W20528060062017 @default.
• W2052806006 countsByYear W20528060062019 @default.
• W2052806006 countsByYear W20528060062020 @default.
• W2052806006 countsByYear W20528060062021 @default.
• W2052806006 countsByYear W20528060062022 @default.
• W2052806006 countsByYear W20528060062023 @default.
• W2052806006 crossrefType "journal-article" @default.
• W2052806006 hasAuthorship W2052806006A5009430254 @default.
• W2052806006 hasAuthorship W2052806006A5010408657 @default.
• W2052806006 hasAuthorship W2052806006A5063313167 @default.
• W2052806006 hasAuthorship W2052806006A5078573469 @default.
• W2052806006 hasAuthorship W2052806006A5089281789 @default.
• W2052806006 hasConcept C112887158 @default.
• W2052806006 hasConcept C120665830 @default.
• W2052806006 hasConcept C121332964 @default.
• W2052806006 hasConcept C130188946 @default.
• W2052806006 hasConcept C147597530 @default.
• W2052806006 hasConcept C147789679 @default.
• W2052806006 hasConcept C152365726 @default.
• W2052806006 hasConcept C178790620 @default.
• W2052806006 hasConcept C179104552 @default.
• W2052806006 hasConcept C185592680 @default.
• W2052806006 hasConcept C193547582 @default.
• W2052806006 hasConcept C2777588596 @default.
• W2052806006 hasConcept C2780002320 @default.
• W2052806006 hasConcept C32909587 @default.
• W2052806006 hasConcept C40003534 @default.
• W2052806006 hasConcept C8010536 @default.
• W2052806006 hasConceptScore W2052806006C112887158 @default.
• W2052806006 hasConceptScore W2052806006C120665830 @default.
• W2052806006 hasConceptScore W2052806006C121332964 @default.
• W2052806006 hasConceptScore W2052806006C130188946 @default.
• W2052806006 hasConceptScore W2052806006C147597530 @default.
• W2052806006 hasConceptScore W2052806006C147789679 @default.
• W2052806006 hasConceptScore W2052806006C152365726 @default.
• W2052806006 hasConceptScore W2052806006C178790620 @default.
• W2052806006 hasConceptScore W2052806006C179104552 @default.
• W2052806006 hasConceptScore W2052806006C185592680 @default.
• W2052806006 hasConceptScore W2052806006C193547582 @default.

• next