Matches in SemOpenAlex for { <https://semopenalex.org/work/W2091029019> ?p ?o ?g. }
- W2091029019 endingPage "8623" @default.
- W2091029019 startingPage "8614" @default.
- W2091029019 abstract "The structure and stability of various methanol adsorption complexes on alkali metal exchanged zeolites was studied by a density functional method using cluster models of six-rings. In particular, O-bound species coordinated only by the oxygen atom to the metal cation were compared to O,H-bound species coordinated in addition with a hydrogen bond of the methanol proton to a zeolite oxygen center. The coordination bond between the methanol oxygen atom and the metal cation furnishes the main contribution to the interaction of the adsorbate with sodium- or potassium-exchanged zeolites (40−55 kJ/mol), while the hydrogen bond contributes in addition about 15 kJ/mol. The hydrogen bond between the methanol hydroxyl group and a zeolite oxygen center significantly influences the OH stretching frequency in the IR spectra of adsorbed methanol. The calculated red shift of the OH frequency depends strongly on the proton affinity value of the zeolite oxygen center; for a change of the proton affinity by 54 kJ/mol it in..." @default.
- W2091029019 created "2016-06-24" @default.
- W2091029019 creator A5004265590 @default.
- W2091029019 creator A5044086644 @default.
- W2091029019 creator A5057378771 @default.
- W2091029019 date "2000-08-11" @default.
- W2091029019 modified "2023-09-27" @default.
- W2091029019 title "Interaction of Methanol with Alkali Metal Exchanged Molecular Sieves. 2. Density Functional Study" @default.
- W2091029019 cites W1624284899 @default.
- W2091029019 cites W17872748 @default.
- W2091029019 cites W184166105 @default.
- W2091029019 cites W1969917863 @default.
- W2091029019 cites W1971141498 @default.
- W2091029019 cites W1971307712 @default.
- W2091029019 cites W1972138423 @default.
- W2091029019 cites W1973548683 @default.
- W2091029019 cites W1976895088 @default.
- W2091029019 cites W1978343168 @default.
- W2091029019 cites W1978406417 @default.
- W2091029019 cites W1979092090 @default.
- W2091029019 cites W1979949205 @default.
- W2091029019 cites W1983106450 @default.
- W2091029019 cites W1983348565 @default.
- W2091029019 cites W1987032264 @default.
- W2091029019 cites W2011134305 @default.
- W2091029019 cites W2014149841 @default.
- W2091029019 cites W2014605958 @default.
- W2091029019 cites W2014936180 @default.
- W2091029019 cites W2017362360 @default.
- W2091029019 cites W2019826847 @default.
- W2091029019 cites W2023838853 @default.
- W2091029019 cites W2030687437 @default.
- W2091029019 cites W2036497239 @default.
- W2091029019 cites W2036989208 @default.
- W2091029019 cites W2039090443 @default.
- W2091029019 cites W2041832416 @default.
- W2091029019 cites W2047589816 @default.
- W2091029019 cites W2047834917 @default.
- W2091029019 cites W2047939866 @default.
- W2091029019 cites W2049679643 @default.
- W2091029019 cites W2055913725 @default.
- W2091029019 cites W2065872217 @default.
- W2091029019 cites W2066057528 @default.
- W2091029019 cites W2067453288 @default.
- W2091029019 cites W2067761819 @default.
- W2091029019 cites W2067899483 @default.
- W2091029019 cites W2072495803 @default.
- W2091029019 cites W2077354741 @default.
- W2091029019 cites W2077573194 @default.
- W2091029019 cites W2083705950 @default.
- W2091029019 cites W2086957099 @default.
- W2091029019 cites W2090419435 @default.
- W2091029019 cites W2095721962 @default.
- W2091029019 cites W2098367844 @default.
- W2091029019 cites W2136695835 @default.
- W2091029019 cites W2154179028 @default.
- W2091029019 cites W2156759719 @default.
- W2091029019 cites W2162237951 @default.
- W2091029019 cites W2951622173 @default.
- W2091029019 cites W2951697064 @default.
- W2091029019 cites W2953071763 @default.
- W2091029019 doi "https://doi.org/10.1021/jp000195x" @default.
- W2091029019 hasPublicationYear "2000" @default.
- W2091029019 type Work @default.
- W2091029019 sameAs 2091029019 @default.
- W2091029019 citedByCount "59" @default.
- W2091029019 countsByYear W20910290192012 @default.
- W2091029019 countsByYear W20910290192013 @default.
- W2091029019 countsByYear W20910290192014 @default.
- W2091029019 countsByYear W20910290192015 @default.
- W2091029019 countsByYear W20910290192016 @default.
- W2091029019 countsByYear W20910290192017 @default.
- W2091029019 countsByYear W20910290192018 @default.
- W2091029019 countsByYear W20910290192019 @default.
- W2091029019 countsByYear W20910290192021 @default.
- W2091029019 countsByYear W20910290192022 @default.
- W2091029019 countsByYear W20910290192023 @default.
- W2091029019 crossrefType "journal-article" @default.
- W2091029019 hasAuthorship W2091029019A5004265590 @default.
- W2091029019 hasAuthorship W2091029019A5044086644 @default.
- W2091029019 hasAuthorship W2091029019A5057378771 @default.
- W2091029019 hasConcept C105281773 @default.
- W2091029019 hasConcept C147597530 @default.
- W2091029019 hasConcept C152365726 @default.
- W2091029019 hasConcept C161790260 @default.
- W2091029019 hasConcept C178790620 @default.
- W2091029019 hasConcept C179104552 @default.
- W2091029019 hasConcept C185592680 @default.
- W2091029019 hasConcept C192562407 @default.
- W2091029019 hasConcept C198091228 @default.
- W2091029019 hasConcept C2779607525 @default.
- W2091029019 hasConcept C544153396 @default.
- W2091029019 hasConceptScore W2091029019C105281773 @default.
- W2091029019 hasConceptScore W2091029019C147597530 @default.
- W2091029019 hasConceptScore W2091029019C152365726 @default.
- W2091029019 hasConceptScore W2091029019C161790260 @default.
- W2091029019 hasConceptScore W2091029019C178790620 @default.
- W2091029019 hasConceptScore W2091029019C179104552 @default.