Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI.
Zimmerman, Paul M
Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI. [electronic resource] - Journal of the American Chemical Society Nov 2012 - 19468-76 p. digital
Publication Type: Journal Article
1520-5126
10.1021/ja3089372 doi
Alkanes--chemistry
Models, Molecular
Quantum Theory
Zeolites--chemistry
Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI. [electronic resource] - Journal of the American Chemical Society Nov 2012 - 19468-76 p. digital
Publication Type: Journal Article
1520-5126
10.1021/ja3089372 doi
Alkanes--chemistry
Models, Molecular
Quantum Theory
Zeolites--chemistry