Collision Dynamics of O(P) + DMMP Using a Specific Reaction Parameters Potential Form
نویسندگان
چکیده
Same as Report (SAR) 18. NUMBER
منابع مشابه
Collision dynamics of O(3P) + DMMP using a specific reaction parameters potential form.
Starting from previous benchmark CBS-QB3 electronic structure calculations (Conforti, P. F.; Braunstein, M.; Dodd, J. A. J. Phys. Chem. A 2009, 113, 13752), we develop two global potential energy surfaces for O((3)P) + DMMP collisions, using the specific reaction parameters approach. Each surface is simultaneously fit along the three major reaction pathways: hydrogen abstraction, hydrogen elimi...
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