TY - GEN AU - Zimmerman,Paul M AU - Tranca,Diana C AU - Gomes,Joseph AU - Lambrecht,Daniel S AU - Head-Gordon,Martin AU - Bell,Alexis T TI - Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI SN - 1520-5126 PY - 2013///0426 KW - Alkanes KW - chemistry KW - Models, Molecular KW - Quantum Theory KW - Zeolites N1 - Publication Type: Journal Article UR - https://doi.org/10.1021/ja3089372 ER -