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Ab initio molecular orbital and molecular graphics studies of benzene adsorption in Na Y zeolite

โœ Scribed by Patrick J. O'Malley; Christopher J. Braithwaite


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
292 KB
Volume
15
Category
Article
ISSN
0144-2449

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Ab initio molecular orbital and density
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The structure and energetics of the C H ะธ I complex have been studied 6 6 2 1 1.55 eV difference between the vertical and adiabatic excitation energies of 4 Aะˆ and the dramatic geometry change in the CT state.