Matches in SemOpenAlex for { <https://semopenalex.org/work/W2555487557> ?p ?o ?g. }
- W2555487557 endingPage "8409" @default.
- W2555487557 startingPage "8404" @default.
- W2555487557 abstract "Transition metal-oxo centers in zeolites are known to be active in the conversion of methane to methanol. Here, we study this reaction over Fe-oxo sites in the zeolite SSZ-13. By comparing calculations for the fully periodic structure and a cluster for two different methods—the standard van der Waals corrected semilocal density functional PBE-D2 and ACFDT-RPA, which is a method where correlation is calculated fully nonlocally—we find that it is actually the confining environment in the zeolite that reduces the barrier for this reaction, by more than 50%, and we find that the two applied methods lead to qualitatively different results." @default.
- W2555487557 created "2016-11-30" @default.
- W2555487557 creator A5016126135 @default.
- W2555487557 creator A5019563461 @default.
- W2555487557 creator A5025258970 @default.
- W2555487557 creator A5038523983 @default.
- W2555487557 creator A5070749482 @default.
- W2555487557 creator A5084953588 @default.
- W2555487557 creator A5090003078 @default.
- W2555487557 date "2016-11-21" @default.
- W2555487557 modified "2023-10-18" @default.
- W2555487557 title "Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites" @default.
- W2555487557 cites W1946830451 @default.
- W2555487557 cites W1968426044 @default.
- W2555487557 cites W1970127494 @default.
- W2555487557 cites W1971437751 @default.
- W2555487557 cites W1977662192 @default.
- W2555487557 cites W1977883521 @default.
- W2555487557 cites W1979544533 @default.
- W2555487557 cites W1980721638 @default.
- W2555487557 cites W1981368803 @default.
- W2555487557 cites W1989009163 @default.
- W2555487557 cites W1997079500 @default.
- W2555487557 cites W2002397717 @default.
- W2555487557 cites W2002612078 @default.
- W2555487557 cites W2007395042 @default.
- W2555487557 cites W2022907251 @default.
- W2555487557 cites W2023554337 @default.
- W2555487557 cites W2028462347 @default.
- W2555487557 cites W2035139888 @default.
- W2555487557 cites W2038261361 @default.
- W2555487557 cites W2040527989 @default.
- W2555487557 cites W2041721340 @default.
- W2555487557 cites W2044591029 @default.
- W2555487557 cites W2050009077 @default.
- W2555487557 cites W2058206851 @default.
- W2555487557 cites W2061221675 @default.
- W2555487557 cites W2065096377 @default.
- W2555487557 cites W2070330556 @default.
- W2555487557 cites W2074023228 @default.
- W2555487557 cites W2075107730 @default.
- W2555487557 cites W2093219163 @default.
- W2555487557 cites W210711751 @default.
- W2555487557 cites W2108806320 @default.
- W2555487557 cites W2122427541 @default.
- W2555487557 cites W2154218705 @default.
- W2555487557 cites W2160991135 @default.
- W2555487557 cites W2162783646 @default.
- W2555487557 cites W2167697614 @default.
- W2555487557 cites W2215953081 @default.
- W2555487557 cites W2325060946 @default.
- W2555487557 cites W2327424912 @default.
- W2555487557 cites W2335366024 @default.
- W2555487557 cites W2432848579 @default.
- W2555487557 cites W295153443 @default.
- W2555487557 doi "https://doi.org/10.1021/acscatal.6b02640" @default.
- W2555487557 hasPublicationYear "2016" @default.
- W2555487557 type Work @default.
- W2555487557 sameAs 2555487557 @default.
- W2555487557 citedByCount "78" @default.
- W2555487557 countsByYear W25554875572017 @default.
- W2555487557 countsByYear W25554875572018 @default.
- W2555487557 countsByYear W25554875572019 @default.
- W2555487557 countsByYear W25554875572020 @default.
- W2555487557 countsByYear W25554875572021 @default.
- W2555487557 countsByYear W25554875572022 @default.
- W2555487557 countsByYear W25554875572023 @default.
- W2555487557 crossrefType "journal-article" @default.
- W2555487557 hasAuthorship W2555487557A5016126135 @default.
- W2555487557 hasAuthorship W2555487557A5019563461 @default.
- W2555487557 hasAuthorship W2555487557A5025258970 @default.
- W2555487557 hasAuthorship W2555487557A5038523983 @default.
- W2555487557 hasAuthorship W2555487557A5070749482 @default.
- W2555487557 hasAuthorship W2555487557A5084953588 @default.
- W2555487557 hasAuthorship W2555487557A5090003078 @default.
- W2555487557 hasBestOaLocation W25554875574 @default.
- W2555487557 hasConcept C127413603 @default.
- W2555487557 hasConcept C161790260 @default.
- W2555487557 hasConcept C178790620 @default.
- W2555487557 hasConcept C185592680 @default.
- W2555487557 hasConcept C192562407 @default.
- W2555487557 hasConcept C2778077586 @default.
- W2555487557 hasConcept C2779607525 @default.
- W2555487557 hasConcept C39432304 @default.
- W2555487557 hasConcept C42360764 @default.
- W2555487557 hasConcept C516920438 @default.
- W2555487557 hasConceptScore W2555487557C127413603 @default.
- W2555487557 hasConceptScore W2555487557C161790260 @default.
- W2555487557 hasConceptScore W2555487557C178790620 @default.
- W2555487557 hasConceptScore W2555487557C185592680 @default.
- W2555487557 hasConceptScore W2555487557C192562407 @default.
- W2555487557 hasConceptScore W2555487557C2778077586 @default.
- W2555487557 hasConceptScore W2555487557C2779607525 @default.
- W2555487557 hasConceptScore W2555487557C39432304 @default.
- W2555487557 hasConceptScore W2555487557C42360764 @default.
- W2555487557 hasConceptScore W2555487557C516920438 @default.
- W2555487557 hasFunder F4320306555 @default.
- W2555487557 hasFunder F4320309434 @default.