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Studies in Surface Science and Catalysis

Volumn 142 A, Issue , 2002, Pages 643-649

Relative stability of alkoxides and carbocations in zeolites. QM/MM embedding and QM calculations applying periodic boundary conditions

(3) Clark, Louis A a Sierka, Marek b Sauer, Joachim a

a HUMBOLDT UNIVERSITY (Germany)

b UNIVERSITY OF KARLSRUHE (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

OXIDE; ZEOLITE;

ADSORPTION; CALCULATION; CHEMICAL BOND; CONFERENCE PAPER; ENERGY; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR STABILITY; QUANTUM MECHANICS; STEREOSPECIFICITY;

EID: 0036938819 PISSN: 01672991 EISSN: None Source Type: Book Series
DOI: 10.1016/s0167-2991(02)80084-2 Document Type: Conference Paper

Times cited : (7)

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