Interaction of Water with Brønsted Acidic Sites of Zeolite Catalysts. Ab Initio Study of 1:1 and 2:1 Surface Complexes

1996 ◽  
Vol 100 (15) ◽  
pp. 6199-6211 ◽  
Author(s):  
Mariann Krossner ◽  
Joachim Sauer
Keyword(s):  
Ab Initio ◽  
Zeolite Catalysts ◽  
Ab Initio Study ◽  
Surface Complexes ◽  
Acidic Sites

Characterisation of Lewis and Brønsted acidic sites in H-MFI and H-BEA zeolites: a thermodynamic and ab initio study

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pp. 3-9 ◽  
Author(s):  
C Busco ◽  
A Barbaglia ◽  
M Broyer ◽  
V Bolis ◽  
G.M Foddanu ◽  
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Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Acidic Sites

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
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Keyword(s):  
Ab Initio ◽  
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Carrier Transport in 2-D Materials: an Ab Initio Study

2019 ◽  
Author(s):  
Mathieu Luisier ◽  
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Christian Stieger ◽  
Martin Rau ◽  
...  
Keyword(s):  
Ab Initio ◽  
Carrier Transport ◽  
Ab Initio Study
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