A K Nowak
Articles written in Journal of Chemical Sciences
Volume 96 Issue 6 April 1986 pp 411-418
The use of molecular graphics procedures to simulate hydrocarbon processes in zeolites is described. Calculations of heats of adsorption, activation energies for diffusion, and the location of solute molecules are considered, and a methodology for simulating an isomerisation reaction in a shape-selective zeolite catalyst is discussed.
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