Matches in SemOpenAlex for { <https://semopenalex.org/work/W2540730341> ?p ?o ?g. }
- W2540730341 endingPage "4584" @default.
- W2540730341 startingPage "4576" @default.
- W2540730341 abstract "The dissociative chemisorption of small molecules such as methane and water on metal surfaces is a key step in many important catalyzed reactions. However, it has only very recently become possible to directly compare theory with molecular beam studies of these reactions. For most experimental conditions, such a comparison requires accurate methods for introducing the effects of lattice motion into quantum reactive scattering calculations. We examine these methods and their recent application to methane and water dissociative chemisorption. New results are presented for CO2 chemisorption and methane dissociation at step edges. The type of molecule-lattice coupling that leads to a strong variation in the dissociative sticking of methane with temperature is shown to occur for many polyatomic-metal systems. Improvements to these models are discussed. The ability to accurately compare theory with molecular beam experiments should lead to improved density functionals and consequently more accurate thermal rate constants for these important reactions." @default.
- W2540730341 created "2016-11-04" @default.
- W2540730341 creator A5021181361 @default.
- W2540730341 creator A5022663242 @default.
- W2540730341 creator A5077851515 @default.
- W2540730341 date "2016-11-01" @default.
- W2540730341 modified "2023-10-03" @default.
- W2540730341 title "Effects of Lattice Motion on Dissociative Chemisorption: Toward a Rigorous Comparison of Theory with Molecular Beam Experiments" @default.
- W2540730341 cites W1507146943 @default.
- W2540730341 cites W1656038169 @default.
- W2540730341 cites W1781229098 @default.
- W2540730341 cites W1795493130 @default.
- W2540730341 cites W1928220610 @default.
- W2540730341 cites W1938554072 @default.
- W2540730341 cites W1948433473 @default.
- W2540730341 cites W1965542270 @default.
- W2540730341 cites W1967491497 @default.
- W2540730341 cites W1970127494 @default.
- W2540730341 cites W1970334998 @default.
- W2540730341 cites W1970920714 @default.
- W2540730341 cites W1974742056 @default.
- W2540730341 cites W1976102082 @default.
- W2540730341 cites W1978736153 @default.
- W2540730341 cites W1979544533 @default.
- W2540730341 cites W1981368803 @default.
- W2540730341 cites W1982136386 @default.
- W2540730341 cites W1985041373 @default.
- W2540730341 cites W1985722053 @default.
- W2540730341 cites W1988553071 @default.
- W2540730341 cites W1989614262 @default.
- W2540730341 cites W1991149034 @default.
- W2540730341 cites W1993361293 @default.
- W2540730341 cites W1993570586 @default.
- W2540730341 cites W1993603234 @default.
- W2540730341 cites W1996107502 @default.
- W2540730341 cites W1998655688 @default.
- W2540730341 cites W1999311696 @default.
- W2540730341 cites W2000168358 @default.
- W2540730341 cites W2002425045 @default.
- W2540730341 cites W2005650733 @default.
- W2540730341 cites W2007395042 @default.
- W2540730341 cites W2009543130 @default.
- W2540730341 cites W2016440766 @default.
- W2540730341 cites W2026816107 @default.
- W2540730341 cites W2030990630 @default.
- W2540730341 cites W2031430816 @default.
- W2540730341 cites W2034213992 @default.
- W2540730341 cites W2045877875 @default.
- W2540730341 cites W2048074758 @default.
- W2540730341 cites W2048537440 @default.
- W2540730341 cites W2048732250 @default.
- W2540730341 cites W2052542454 @default.
- W2540730341 cites W2055533293 @default.
- W2540730341 cites W2059605663 @default.
- W2540730341 cites W2060050480 @default.
- W2540730341 cites W2060420737 @default.
- W2540730341 cites W2061463267 @default.
- W2540730341 cites W2062499394 @default.
- W2540730341 cites W2068675877 @default.
- W2540730341 cites W2071398008 @default.
- W2540730341 cites W2073475091 @default.
- W2540730341 cites W2074040552 @default.
- W2540730341 cites W2077471011 @default.
- W2540730341 cites W2079105963 @default.
- W2540730341 cites W2083222334 @default.
- W2540730341 cites W2084365263 @default.
- W2540730341 cites W2087698390 @default.
- W2540730341 cites W2090821023 @default.
- W2540730341 cites W2092673013 @default.
- W2540730341 cites W2094977330 @default.
- W2540730341 cites W2108812250 @default.
- W2540730341 cites W2111988447 @default.
- W2540730341 cites W2119741652 @default.
- W2540730341 cites W2121040422 @default.
- W2540730341 cites W2122427541 @default.
- W2540730341 cites W2154087550 @default.
- W2540730341 cites W2173515739 @default.
- W2540730341 cites W2198383220 @default.
- W2540730341 cites W2223968728 @default.
- W2540730341 cites W2276001021 @default.
- W2540730341 cites W2289219159 @default.
- W2540730341 cites W2292525109 @default.
- W2540730341 cites W2296704941 @default.
- W2540730341 cites W2298001533 @default.
- W2540730341 cites W2316582499 @default.
- W2540730341 cites W2319886351 @default.
- W2540730341 cites W2320412058 @default.
- W2540730341 cites W2322974496 @default.
- W2540730341 cites W2330868581 @default.
- W2540730341 cites W2331153119 @default.
- W2540730341 cites W2344141164 @default.
- W2540730341 cites W2347370779 @default.
- W2540730341 cites W2416356707 @default.
- W2540730341 cites W2419617445 @default.
- W2540730341 cites W2462664137 @default.
- W2540730341 cites W2463637118 @default.
- W2540730341 cites W2504024191 @default.
- W2540730341 cites W4245691578 @default.