@inproceedings{Jousse1997ActivatedDO, title={Activated diffusion of benzene in NaY zeolite : Rate constants from transition state theory with dynamical corrections}, author={Fabien Jousse and Scott M. Auerbacha}, year={1997} }

- Published 1997

We calculated transition state theory and exact rate coefficients for benzene jumps in Na-Y zeolite between 150 and 500 K. This is the first exact flux correlation function rate calculation for a non-spherical molecule inside a zeolite. We calculated rates for jumps between S II a d W sites, located near Na ions in 6-rings and in 12-rings windows… CONTINUE READING

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