Structure and Vibrational Features of Complexes between Unsaturated Hydrocarbons and Acidic Sites in Silica and Zeolites: An ab Initio Study

1996 ◽  
Vol 100 (9) ◽  
pp. 3632-3645 ◽  
Author(s):  
P. Ugliengo ◽  
A. M. Ferrari ◽  
A. Zecchina ◽  
E. Garrone
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Unsaturated Hydrocarbons ◽  
Acidic Sites ◽  
Vibrational Features

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

2004 ◽  
Vol 418 (1-2) ◽  
pp. 3-9 ◽  
Author(s):  
C Busco ◽  
A Barbaglia ◽  
M Broyer ◽  
V Bolis ◽  
G.M Foddanu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Acidic Sites

Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2

2006 ◽  
Vol 8 (21) ◽  
pp. 2464 ◽  
Author(s):  
Marta Corno ◽  
Claudia Busco ◽  
Bartolomeo Civalleri ◽  
Piero Ugliengo
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Vibrational Features

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

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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