Farkas

Process 2, the adsorption of the reactant(s), is often quite rapid for nonporous adsorbents, but not necessarily so it appears to be the rate-limiting step for the water-gas reaction, CO + HjO = CO2 + H2, on Cu(lll) [200]. On the other hand, process 4, the desorption of products, must always be activated at least by Q, the heat of adsorption, and is much more apt to be slow. In fact, because of this expectation, certain seemingly paradoxical situations have arisen. For example, the catalyzed exchange between hydrogen and deuterium on metal surfaces may be quite rapid at temperatures well below room temperature and under circumstances such that the rate of desorption of the product HD appeared to be so slow that the observed reaction should not have been able to occur To be more specific, the originally proposed mechanism, due to Bonhoeffer and Farkas [201], was that of Eq. XVIII-32. That is. 

Farkas O and Schlegel H B 1998 Methods for geometry optimization In large molecules. I. An O(N ) algorithm for solving systems of linear equations for the transformation of coordinates and forces J. Chem. Phys. 109 7100... 

We thank Professor S. Shaik, Professor B. Dick, Professor L, S. Cederbaum, and Dr. W. Fuss for many enlightening discussions and suggestions, This research was supported by The Israel Science Foundation founded by The Israel Academy of Sciences and Humanities and partially by The VolkswagenStiftung. The Farkas Center for Light Induced Processes is supported by the Minerva Gesellschaft mbH,... 

Yehuda Haas, Deparhnent of Physical Chemistry and the Farkas Center for Light-Induced Processes, Hebrew University of Jerusalem, Jerusalem, Israel... 

Fig. 5.37 Comparison of the calculated phonon dispersion curve for Al with the experimental values measured using neutron diffraction. (Figure redrawn from Michin Y, D Farkas, M ] Mehl and D A Papaconstantopoulos 1999. Interatomic Potentials for Monomatomic Metals from Experimental Data and ab initio Calculations. Physical Review 359 3393-3407.)...

I. Simiti and M. Farkas, Acta Chim. Acad. Sci. Hung., 76, 107 (1973) Chem. Abstr.,... 

Acknowledgements I wish to acknowledge the assistance of Drs. K. Heusler and E. Farkas and Professors C. Djerassi, H. B. Henbest, W. S. Johnson and S. Nishimura in providing data on their work on steroid hydrogenations prior to publication. 

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