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Insight into chemical reactions from first-principles simulations: the mechanism of the gas-phase reaction of OH radicals with ketones.

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Parrinello,  M.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Frank, I., Parrinello, M., & Klamt, A. (1998). Insight into chemical reactions from first-principles simulations: the mechanism of the gas-phase reaction of OH radicals with ketones. Journal of Physical Chemistry A, 102, 3614-3617.


Cite as: https://hdl.handle.net/21.11116/0000-000E-D5AC-0
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