Brønsted sites in zeolitic catalysts. An ab initio study of local geometries and of the barrier for proton jumps between neighbouring sites

Chemical Physics Letters

Volumn 164, Issue 2-3, 1989, Pages 193-198

  Sauer, J ^a   Kolmel C M ^b   Hill, J R ^a   Ahlrichs, R ^b  

^a Berlin Brandenburgische Akademie der Wissenschaften   (Germany)

^b UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001100866     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(89)85014-6     Document Type: Article

References (22)

1. Improvements on the direct SCF method
2. Implementation of an electronic structure program system on the CYBER 205
3. Molecular structures of gas-phase polyatomic molecules determined by spectroscopic methods