Diffusion of aromatic molecules in zeolite NaY. 1. Constrained reaction coordinate dynamics

Journal of Physical Chemistry B

Volumn 101, Issue 46, 1997, Pages 9476-9484

  Mosell, Thomas ^a   Schrimpf, Gerhard ^a,b   Brickmann, Jürgen ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b IBM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; COMPUTER SIMULATION; CRYSTAL LATTICES; DIFFUSION IN SOLIDS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; REACTION KINETICS; XYLENE;

CONSTRAINED REACTION COORDINATE DYNAMICS;

ZEOLITES;

EID: 0031272707     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9713266     Document Type: Article

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