FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2085471688> ?p ?o ?g. }

• W2085471688 endingPage "10210" @default.
• W2085471688 startingPage "10198" @default.
• W2085471688 abstract "Taking Pd di-imine catalysts as an example, we use first principles density functional theory (B3LYP/6-31G*) to investigate the chain propagation steps for polymerization of polar monomers. We start with the complex formed from insertion of ethylene into the polymer chain and consider insertion into the Pd−C bond for each of four polar monomers: methyl acrylate, vinyl acetate, vinyl chloride, and acrylonitrile. We find 2,1-insertion is favored in each case (by 3 to 5 kcal/mol), resulting in a product with a strong interaction of the polar group for the growing polymer chain with the metal. Next, we insert another unit of the same polar monomer or an ethylene unit (except for acrylonitrile). We optimize the structures for all important intermediates and transition states using a continuum dielectric to account for solvation effects. These studies pinpoint the critical difficulties in designing catalysts to polymerize polar monomers." @default.
• W2085471688 created "2016-06-24" @default.
• W2085471688 creator A5018665262 @default.
• W2085471688 creator A5029423543 @default.
• W2085471688 creator A5035627473 @default.
• W2085471688 creator A5036457799 @default.
• W2085471688 creator A5070923013 @default.
• W2085471688 creator A5075530196 @default.
• W2085471688 date "2002-07-31" @default.
• W2085471688 modified "2023-10-12" @default.
• W2085471688 title "Computational Insights on the Challenges for Polymerizing Polar Monomers" @default.
• W2085471688 cites W1963657741 @default.
• W2085471688 cites W1966182479 @default.
• W2085471688 cites W1970018224 @default.
• W2085471688 cites W2003162132 @default.
• W2085471688 cites W2003433412 @default.
• W2085471688 cites W2006450060 @default.
• W2085471688 cites W2011421995 @default.
• W2085471688 cites W2013464543 @default.
• W2085471688 cites W2014007385 @default.
• W2085471688 cites W2016689740 @default.
• W2085471688 cites W2021523869 @default.
• W2085471688 cites W2023271753 @default.
• W2085471688 cites W2023617553 @default.
• W2085471688 cites W2030795020 @default.
• W2085471688 cites W2034329598 @default.
• W2085471688 cites W2038533471 @default.
• W2085471688 cites W2041011991 @default.
• W2085471688 cites W2049543666 @default.
• W2085471688 cites W2060389497 @default.
• W2085471688 cites W2062677526 @default.
• W2085471688 cites W2068054822 @default.
• W2085471688 cites W2073637781 @default.
• W2085471688 cites W2082850709 @default.
• W2085471688 cites W2086957099 @default.
• W2085471688 cites W2143981217 @default.
• W2085471688 doi "https://doi.org/10.1021/ja0157705" @default.
• W2085471688 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12188685" @default.
• W2085471688 hasPublicationYear "2002" @default.
• W2085471688 type Work @default.
• W2085471688 sameAs 2085471688 @default.
• W2085471688 citedByCount "77" @default.
• W2085471688 countsByYear W20854716882012 @default.
• W2085471688 countsByYear W20854716882013 @default.
• W2085471688 countsByYear W20854716882014 @default.
• W2085471688 countsByYear W20854716882016 @default.
• W2085471688 countsByYear W20854716882017 @default.
• W2085471688 countsByYear W20854716882018 @default.
• W2085471688 countsByYear W20854716882019 @default.
• W2085471688 countsByYear W20854716882020 @default.
• W2085471688 countsByYear W20854716882022 @default.
• W2085471688 countsByYear W20854716882023 @default.
• W2085471688 crossrefType "journal-article" @default.
• W2085471688 hasAuthorship W2085471688A5018665262 @default.
• W2085471688 hasAuthorship W2085471688A5029423543 @default.
• W2085471688 hasAuthorship W2085471688A5035627473 @default.
• W2085471688 hasAuthorship W2085471688A5036457799 @default.
• W2085471688 hasAuthorship W2085471688A5070923013 @default.
• W2085471688 hasAuthorship W2085471688A5075530196 @default.
• W2085471688 hasConcept C121332964 @default.
• W2085471688 hasConcept C1276947 @default.
• W2085471688 hasConcept C15920480 @default.
• W2085471688 hasConcept C166940927 @default.
• W2085471688 hasConcept C178790620 @default.
• W2085471688 hasConcept C185592680 @default.
• W2085471688 hasConcept C188027245 @default.
• W2085471688 hasConcept C2778004933 @default.
• W2085471688 hasConcept C2778372188 @default.
• W2085471688 hasConcept C29705727 @default.
• W2085471688 hasConcept C38087914 @default.
• W2085471688 hasConcept C44228677 @default.
• W2085471688 hasConcept C521977710 @default.
• W2085471688 hasConceptScore W2085471688C121332964 @default.
• W2085471688 hasConceptScore W2085471688C1276947 @default.
• W2085471688 hasConceptScore W2085471688C15920480 @default.
• W2085471688 hasConceptScore W2085471688C166940927 @default.
• W2085471688 hasConceptScore W2085471688C178790620 @default.
• W2085471688 hasConceptScore W2085471688C185592680 @default.
• W2085471688 hasConceptScore W2085471688C188027245 @default.
• W2085471688 hasConceptScore W2085471688C2778004933 @default.
• W2085471688 hasConceptScore W2085471688C2778372188 @default.
• W2085471688 hasConceptScore W2085471688C29705727 @default.
• W2085471688 hasConceptScore W2085471688C38087914 @default.
• W2085471688 hasConceptScore W2085471688C44228677 @default.
• W2085471688 hasConceptScore W2085471688C521977710 @default.
• W2085471688 hasIssue "34" @default.
• W2085471688 hasLocation W20854716881 @default.
• W2085471688 hasLocation W20854716882 @default.
• W2085471688 hasOpenAccess W2085471688 @default.
• W2085471688 hasPrimaryLocation W20854716881 @default.
• W2085471688 hasRelatedWork W1532011346 @default.
• W2085471688 hasRelatedWork W1979356443 @default.
• W2085471688 hasRelatedWork W2018472704 @default.
• W2085471688 hasRelatedWork W2035950343 @default.
• W2085471688 hasRelatedWork W2044979409 @default.
• W2085471688 hasRelatedWork W2118812675 @default.
• W2085471688 hasRelatedWork W2173274263 @default.
• W2085471688 hasRelatedWork W2383247346 @default.

• next