Matches in SemOpenAlex for { <https://semopenalex.org/work/W2065017041> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2065017041 endingPage "91" @default.
- W2065017041 startingPage "86" @default.
- W2065017041 abstract "Abstract The ion-molecule surface for the interaction of water with protonated methanol is theoretically characterized using both ab initio and semi-empirical methods. The SN 2 transition state of the water exchange reaction (H 2 O---CH 3 ---OH 2 ) + , is determined. We estimate the intrinsic barrier for cationic methyl transfer between two oxygen centers to be about 9 kcal/mol, less than half the value found in comparative anionic transfers. Marcus theory is used to estimate the energy of the critical transition state in the gas-phase reaction of protonated methanol with methanol to give protonated dimethyl ether and water." @default.
- W2065017041 created "2016-06-24" @default.
- W2065017041 creator A5015297448 @default.
- W2065017041 creator A5038237411 @default.
- W2065017041 creator A5047870405 @default.
- W2065017041 creator A5081648843 @default.
- W2065017041 date "1988-09-01" @default.
- W2065017041 modified "2023-09-27" @default.
- W2065017041 title "Theoretical characterization of the intrinsic barrier for cationic SN2 methyl transfer between oxygen centers" @default.
- W2065017041 cites W1969771083 @default.
- W2065017041 cites W1970147943 @default.
- W2065017041 cites W1976899127 @default.
- W2065017041 cites W1982043380 @default.
- W2065017041 cites W1982855438 @default.
- W2065017041 cites W1992817813 @default.
- W2065017041 cites W2005501661 @default.
- W2065017041 cites W2007508017 @default.
- W2065017041 cites W2018648187 @default.
- W2065017041 cites W2033869281 @default.
- W2065017041 cites W2043510652 @default.
- W2065017041 cites W2077973224 @default.
- W2065017041 cites W2079116928 @default.
- W2065017041 cites W2079604695 @default.
- W2065017041 cites W2084149574 @default.
- W2065017041 cites W2088372335 @default.
- W2065017041 cites W2089959174 @default.
- W2065017041 cites W2090470824 @default.
- W2065017041 cites W2126996034 @default.
- W2065017041 cites W2157441738 @default.
- W2065017041 cites W237836416 @default.
- W2065017041 cites W2950043812 @default.
- W2065017041 cites W2950087840 @default.
- W2065017041 cites W2950580119 @default.
- W2065017041 cites W2951580006 @default.
- W2065017041 cites W296700909 @default.
- W2065017041 cites W3004981438 @default.
- W2065017041 cites W3005141440 @default.
- W2065017041 cites W3194968225 @default.
- W2065017041 cites W4251875598 @default.
- W2065017041 doi "https://doi.org/10.1016/0009-2614(88)80401-9" @default.
- W2065017041 hasPublicationYear "1988" @default.
- W2065017041 type Work @default.
- W2065017041 sameAs 2065017041 @default.
- W2065017041 citedByCount "11" @default.
- W2065017041 crossrefType "journal-article" @default.
- W2065017041 hasAuthorship W2065017041A5015297448 @default.
- W2065017041 hasAuthorship W2065017041A5038237411 @default.
- W2065017041 hasAuthorship W2065017041A5047870405 @default.
- W2065017041 hasAuthorship W2065017041A5081648843 @default.
- W2065017041 hasConcept C147597530 @default.
- W2065017041 hasConcept C152365726 @default.
- W2065017041 hasConcept C159467904 @default.
- W2065017041 hasConcept C171250308 @default.
- W2065017041 hasConcept C178790620 @default.
- W2065017041 hasConcept C183882617 @default.
- W2065017041 hasConcept C185592680 @default.
- W2065017041 hasConcept C188027245 @default.
- W2065017041 hasConcept C192562407 @default.
- W2065017041 hasConcept C2780841128 @default.
- W2065017041 hasConcept C2994539084 @default.
- W2065017041 hasConcept C540031477 @default.
- W2065017041 hasConcept C71240020 @default.
- W2065017041 hasConcept C75473681 @default.
- W2065017041 hasConcept C96765332 @default.
- W2065017041 hasConceptScore W2065017041C147597530 @default.
- W2065017041 hasConceptScore W2065017041C152365726 @default.
- W2065017041 hasConceptScore W2065017041C159467904 @default.
- W2065017041 hasConceptScore W2065017041C171250308 @default.
- W2065017041 hasConceptScore W2065017041C178790620 @default.
- W2065017041 hasConceptScore W2065017041C183882617 @default.
- W2065017041 hasConceptScore W2065017041C185592680 @default.
- W2065017041 hasConceptScore W2065017041C188027245 @default.
- W2065017041 hasConceptScore W2065017041C192562407 @default.
- W2065017041 hasConceptScore W2065017041C2780841128 @default.
- W2065017041 hasConceptScore W2065017041C2994539084 @default.
- W2065017041 hasConceptScore W2065017041C540031477 @default.
- W2065017041 hasConceptScore W2065017041C71240020 @default.
- W2065017041 hasConceptScore W2065017041C75473681 @default.
- W2065017041 hasConceptScore W2065017041C96765332 @default.
- W2065017041 hasIssue "1-2" @default.
- W2065017041 hasLocation W20650170411 @default.
- W2065017041 hasOpenAccess W2065017041 @default.
- W2065017041 hasPrimaryLocation W20650170411 @default.
- W2065017041 hasRelatedWork W2050383620 @default.
- W2065017041 hasRelatedWork W2056519452 @default.
- W2065017041 hasRelatedWork W2127336791 @default.
- W2065017041 hasRelatedWork W2899084033 @default.
- W2065017041 hasRelatedWork W2949203031 @default.
- W2065017041 hasRelatedWork W2949226306 @default.
- W2065017041 hasRelatedWork W2949563241 @default.
- W2065017041 hasRelatedWork W2952217913 @default.
- W2065017041 hasRelatedWork W2952271444 @default.
- W2065017041 hasRelatedWork W4247559053 @default.
- W2065017041 hasVolume "150" @default.
- W2065017041 isParatext "false" @default.
- W2065017041 isRetracted "false" @default.
- W2065017041 magId "2065017041" @default.
- W2065017041 workType "article" @default.