Interaction of CO Molecule with Au/MOR Catalyst: ONIOM-PM6...

Interaction of CO Molecule with Au/MOR Catalyst: ONIOM-PM6 Study, Active Sites, Thermodynamic and Vibrational Frequencies

Sierraalta, Anibal, Añez, Rafael, Diaz, Lenin, Gomperts, Roberto
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Volume:
114
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp102458p
Date:
July, 2010
File:
PDF, 4.34 MB
english, 2010
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