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Quantum Mechanical Modeling of Catalytic Processes

✍ Scribed by Bell, Alexis T.; Head-Gordon, Martin


Book ID
121286565
Publisher
Annual Reviews
Year
2011
Tongue
English
Weight
952 KB
Volume
2
Category
Article
ISSN
1947-5438

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πŸ“œ SIMILAR VOLUMES


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✍ A.M. Cockroft; R.L. Hudson πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 808 KB
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✍ Tapio Salmi πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 798 KB

Generalized models for steady state catalytic processes are presented in matrix form. Multistep reaction rate control is assumed. Numerical algorithms for solving of the created linear and nonlinear equation systems are developed and tested. Four examples are considered: an Eley-Rideal-mechanism, a