Computational Elucidation of the Transition State Shape Selectivity Phenomenon

Journal of the American Chemical Society

Volumn 126, Issue 3, 2004, Pages 936-947

  Clark, Louis A ^a   Sierka, Marek ^a,b   Sauer, Joachim ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

^b UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; CONFORMATIONS; ISOMERS; PHASE TRANSITIONS; POROSITY; REACTION KINETICS;

SHAPE SELECTIVITY REACTIONS;

ZEOLITES;

1,3,5 TRIMETHYLBENZENE; DIPHENYLMETHANE; META XYLENE; METHANE; METHOXIDE; OXIDE; UNCLASSIFIED DRUG; ZEOLITE;

ARTICLE; CALCULATION; CATALYSIS; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONFORMATIONAL TRANSITION; ENERGY; ENTROPY; GEOMETRY; ISOMER; POROSITY; REACTION ANALYSIS; STRUCTURE ANALYSIS; TECHNIQUE;

EID: 1642494619     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0381712     Document Type: Article

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