Matches in SemOpenAlex for { <https://semopenalex.org/work/W2045707018> ?p ?o ?g. }
Showing items 1 to 88 of
88
with 100 items per page.
- W2045707018 endingPage "3972" @default.
- W2045707018 startingPage "3964" @default.
- W2045707018 abstract "The alkylation of 4-methoxymethyl-gamma-butyrolactone enolate with methyl chloride was studied at the B3LYP/6-31+G* level. Conformer search of the free enolate gave 15 unique conformers within 5.39 kcal/mol. The transition structures for both anti- and syn-attacks of methyl chloride on these 15 conformers were located. In all cases, the anti-transition structures are more stable than the corresponding syn-ones. The alkylation of gamma-valerolactone was studied at the MP2, B3LYP, and HF levels of theory with the 6-31+G* basis set in the presence of Li+ and dimethyl ether molecules. Basis set effects were also examined by the comparison of the MP2 results with the 6-31+G*, 6-31+G**, and 6-311+G** basis sets in one case. This study shows that the main source of the anti-selectivity of 4-substituted gamma-butyrolactones is eclipsing strain in the syn-transition structures." @default.
- W2045707018 created "2016-06-24" @default.
- W2045707018 creator A5062848729 @default.
- W2045707018 date "2005-02-25" @default.
- W2045707018 modified "2023-10-11" @default.
- W2045707018 title "A Theoretical Study on the Origin of π-Facial Stereoselectivity in the Alkylation of Enolates Derived from 4-Substituted γ-Butyrolactones" @default.
- W2045707018 cites W1663700987 @default.
- W2045707018 cites W1973108347 @default.
- W2045707018 cites W1988014289 @default.
- W2045707018 cites W2011191822 @default.
- W2045707018 cites W2014767176 @default.
- W2045707018 cites W2016981687 @default.
- W2045707018 cites W2021239011 @default.
- W2045707018 cites W2023222594 @default.
- W2045707018 cites W2032461897 @default.
- W2045707018 cites W2039862437 @default.
- W2045707018 cites W2042644553 @default.
- W2045707018 cites W2043896151 @default.
- W2045707018 cites W2051952262 @default.
- W2045707018 cites W2058848030 @default.
- W2045707018 cites W2081536935 @default.
- W2045707018 cites W2949456148 @default.
- W2045707018 cites W2952667929 @default.
- W2045707018 doi "https://doi.org/10.1021/ja044995n" @default.
- W2045707018 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15771533" @default.
- W2045707018 hasPublicationYear "2005" @default.
- W2045707018 type Work @default.
- W2045707018 sameAs 2045707018 @default.
- W2045707018 citedByCount "19" @default.
- W2045707018 countsByYear W20457070182012 @default.
- W2045707018 countsByYear W20457070182013 @default.
- W2045707018 countsByYear W20457070182018 @default.
- W2045707018 countsByYear W20457070182019 @default.
- W2045707018 countsByYear W20457070182020 @default.
- W2045707018 crossrefType "journal-article" @default.
- W2045707018 hasAuthorship W2045707018A5062848729 @default.
- W2045707018 hasConcept C118792377 @default.
- W2045707018 hasConcept C147597530 @default.
- W2045707018 hasConcept C161790260 @default.
- W2045707018 hasConcept C164361826 @default.
- W2045707018 hasConcept C178790620 @default.
- W2045707018 hasConcept C181647583 @default.
- W2045707018 hasConcept C185592680 @default.
- W2045707018 hasConcept C18705241 @default.
- W2045707018 hasConcept C2778695967 @default.
- W2045707018 hasConcept C2779300417 @default.
- W2045707018 hasConcept C2780407432 @default.
- W2045707018 hasConcept C32909587 @default.
- W2045707018 hasConcept C65956243 @default.
- W2045707018 hasConcept C71240020 @default.
- W2045707018 hasConcept C89031862 @default.
- W2045707018 hasConceptScore W2045707018C118792377 @default.
- W2045707018 hasConceptScore W2045707018C147597530 @default.
- W2045707018 hasConceptScore W2045707018C161790260 @default.
- W2045707018 hasConceptScore W2045707018C164361826 @default.
- W2045707018 hasConceptScore W2045707018C178790620 @default.
- W2045707018 hasConceptScore W2045707018C181647583 @default.
- W2045707018 hasConceptScore W2045707018C185592680 @default.
- W2045707018 hasConceptScore W2045707018C18705241 @default.
- W2045707018 hasConceptScore W2045707018C2778695967 @default.
- W2045707018 hasConceptScore W2045707018C2779300417 @default.
- W2045707018 hasConceptScore W2045707018C2780407432 @default.
- W2045707018 hasConceptScore W2045707018C32909587 @default.
- W2045707018 hasConceptScore W2045707018C65956243 @default.
- W2045707018 hasConceptScore W2045707018C71240020 @default.
- W2045707018 hasConceptScore W2045707018C89031862 @default.
- W2045707018 hasIssue "11" @default.
- W2045707018 hasLocation W20457070181 @default.
- W2045707018 hasLocation W20457070182 @default.
- W2045707018 hasOpenAccess W2045707018 @default.
- W2045707018 hasPrimaryLocation W20457070181 @default.
- W2045707018 hasRelatedWork W1972863456 @default.
- W2045707018 hasRelatedWork W2017082684 @default.
- W2045707018 hasRelatedWork W2023036309 @default.
- W2045707018 hasRelatedWork W2029425899 @default.
- W2045707018 hasRelatedWork W2052399476 @default.
- W2045707018 hasRelatedWork W2077273959 @default.
- W2045707018 hasRelatedWork W2089371831 @default.
- W2045707018 hasRelatedWork W2090625483 @default.
- W2045707018 hasRelatedWork W3012606738 @default.
- W2045707018 hasRelatedWork W4385077663 @default.
- W2045707018 hasVolume "127" @default.
- W2045707018 isParatext "false" @default.
- W2045707018 isRetracted "false" @default.
- W2045707018 magId "2045707018" @default.
- W2045707018 workType "article" @default.