FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1966514948> ?p ?o ?g. }

• W1966514948 endingPage "2420" @default.
• W1966514948 startingPage "2415" @default.
• W1966514948 abstract "The four transition structures (TS's) of the reaction between butadiene and acrolein, both uncatalyzed and catalyzed by BF3, have been theoretically studied taking into account electron correlation effects by means of DFT (B3LYP) calculations. In both the uncatalyzed and catalyzed reactions, the endo s-cis is the most stable of the four possible transition structures. In the case of the catalyzed reaction, the inclusion of electron correlation in the search for this transition structure indicates the classical [4+2] reaction path, instead of that corresponding to a [2+4] inverse electron, demands hetero-Diels−Alder reaction, as happens when the Hartree−Fock level of theory is used. The B3LYP/6-31G(d) calculations lead to activation energy values close to those experimentally found. The origin of the endo/exo selectivity, both in the presence and in the absence of the catalyst, is discussed." @default.
• W1966514948 created "2016-06-24" @default.
• W1966514948 creator A5010204088 @default.
• W1966514948 creator A5016411507 @default.
• W1966514948 creator A5034426643 @default.
• W1966514948 creator A5037149895 @default.
• W1966514948 date "1998-02-25" @default.
• W1966514948 modified "2023-10-18" @default.
• W1966514948 title "Density Functional Theory Study of a Lewis Acid Catalyzed Diels−Alder Reaction. The Butadiene + Acrolein Paradigm" @default.
• W1966514948 cites W1972141874 @default.
• W1966514948 cites W1975851165 @default.
• W1966514948 cites W1998840680 @default.
• W1966514948 cites W2009536263 @default.
• W1966514948 cites W2014767176 @default.
• W1966514948 cites W2023271753 @default.
• W1966514948 cites W2024405014 @default.
• W1966514948 cites W2025384859 @default.
• W1966514948 cites W2027647658 @default.
• W1966514948 cites W2031531510 @default.
• W1966514948 cites W2034422083 @default.
• W1966514948 cites W2049282378 @default.
• W1966514948 cites W2056036954 @default.
• W1966514948 cites W2058719927 @default.
• W1966514948 cites W2058835936 @default.
• W1966514948 cites W2060149917 @default.
• W1966514948 cites W2063850505 @default.
• W1966514948 cites W2072236973 @default.
• W1966514948 cites W2075438975 @default.
• W1966514948 cites W2079458939 @default.
• W1966514948 cites W2090840585 @default.
• W1966514948 cites W2143981217 @default.
• W1966514948 cites W2321181138 @default.
• W1966514948 cites W2332978392 @default.
• W1966514948 cites W2951995354 @default.
• W1966514948 cites W2952699298 @default.
• W1966514948 doi "https://doi.org/10.1021/ja9722279" @default.
• W1966514948 hasPublicationYear "1998" @default.
• W1966514948 type Work @default.
• W1966514948 sameAs 1966514948 @default.
• W1966514948 citedByCount "119" @default.
• W1966514948 countsByYear W19665149482012 @default.
• W1966514948 countsByYear W19665149482013 @default.
• W1966514948 countsByYear W19665149482014 @default.
• W1966514948 countsByYear W19665149482015 @default.
• W1966514948 countsByYear W19665149482016 @default.
• W1966514948 countsByYear W19665149482017 @default.
• W1966514948 countsByYear W19665149482018 @default.
• W1966514948 countsByYear W19665149482019 @default.
• W1966514948 countsByYear W19665149482020 @default.
• W1966514948 countsByYear W19665149482022 @default.
• W1966514948 countsByYear W19665149482023 @default.
• W1966514948 crossrefType "journal-article" @default.
• W1966514948 hasAuthorship W1966514948A5010204088 @default.
• W1966514948 hasAuthorship W1966514948A5016411507 @default.
• W1966514948 hasAuthorship W1966514948A5034426643 @default.
• W1966514948 hasAuthorship W1966514948A5037149895 @default.
• W1966514948 hasConcept C147597530 @default.
• W1966514948 hasConcept C152365726 @default.
• W1966514948 hasConcept C161790260 @default.
• W1966514948 hasConcept C163638829 @default.
• W1966514948 hasConcept C178790620 @default.
• W1966514948 hasConcept C185592680 @default.
• W1966514948 hasConcept C2779940776 @default.
• W1966514948 hasConcept C2780422782 @default.
• W1966514948 hasConcept C32909587 @default.
• W1966514948 hasConcept C35052450 @default.
• W1966514948 hasConcept C75473681 @default.
• W1966514948 hasConcept C89031862 @default.
• W1966514948 hasConceptScore W1966514948C147597530 @default.
• W1966514948 hasConceptScore W1966514948C152365726 @default.
• W1966514948 hasConceptScore W1966514948C161790260 @default.
• W1966514948 hasConceptScore W1966514948C163638829 @default.
• W1966514948 hasConceptScore W1966514948C178790620 @default.
• W1966514948 hasConceptScore W1966514948C185592680 @default.
• W1966514948 hasConceptScore W1966514948C2779940776 @default.
• W1966514948 hasConceptScore W1966514948C2780422782 @default.
• W1966514948 hasConceptScore W1966514948C32909587 @default.
• W1966514948 hasConceptScore W1966514948C35052450 @default.
• W1966514948 hasConceptScore W1966514948C75473681 @default.
• W1966514948 hasConceptScore W1966514948C89031862 @default.
• W1966514948 hasIssue "10" @default.
• W1966514948 hasLocation W19665149481 @default.
• W1966514948 hasOpenAccess W1966514948 @default.
• W1966514948 hasPrimaryLocation W19665149481 @default.
• W1966514948 hasRelatedWork W1966514948 @default.
• W1966514948 hasRelatedWork W2013576522 @default.
• W1966514948 hasRelatedWork W2051706603 @default.
• W1966514948 hasRelatedWork W2099605524 @default.
• W1966514948 hasRelatedWork W2351932489 @default.
• W1966514948 hasRelatedWork W2353318049 @default.
• W1966514948 hasRelatedWork W2587647100 @default.
• W1966514948 hasRelatedWork W2950040166 @default.
• W1966514948 hasRelatedWork W3041176928 @default.
• W1966514948 hasRelatedWork W3137262054 @default.
• W1966514948 hasVolume "120" @default.
• W1966514948 isParatext "false" @default.
• W1966514948 isRetracted "false" @default.
• W1966514948 magId "1966514948" @default.

• next