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Quantum mechanical models in catalysis

✍ Scribed by A. L. Tchougréeff

Book ID
112537869
Publisher
Springer
Year
1996
Tongue
English
Weight
672 KB
Volume
45
Category
Article
ISSN
1573-9171

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Quantum mechanical models in catalysis
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✍ A. L. Tchougréeff 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 728 KB

We applied general quantum mechanical ideas in order to establish the form of the many-electron wave functions suitable for analysis of catalytic processes. This led us to the conclusion that the relevant wave functions for the electrons of the catalytic complexes must be taken as superpositions of

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A quantum-mechanical model for heterogeneous catalytic reactions is developed based on the reaction Hamiltonian method developed by the authors. It is shown that the presence of the surface leads to additional channels of reaction. These are found to dominate the exponential smallness of the reactio

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## Abstract For Abstract see ChemInform Abstract in Full Text.