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RE: Oscillatory reactions - when chemistry looks alive

in #steemstem • 7 years ago

This is the true value of this network - to bring the people together and provide the healthy place where you can make the connections.

"Pro question": There is a strange idea about the *OH radical. According to some ideas, those are organized in "layers". Do you know some method that could simulate different ways how *OH "approach" to molecules?

7 years ago in #steemstem by
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     7 years ago (edited)

    "Pro question": There is a strange idea about the *OH radical. According to some ideas, those are organized in "layers". Do you know some method that could simulate different ways how *OH "approach" to molecules?

    I didnt get you. If I understand you correctly, are you asking if we can incorporate OH radical in MD simulations? Maybe QM based MD techniques can incorporate reactions. Not in classical MD.

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