Reaction Mechanism Searches
Experimental chemists can see what goes in and out of a reaction and propose a plausible mechanism. The individual steps and intermediates can be difficult or impossible to observe directly. Computational chemists can simulate these reactions to identify intermediates, transition states, and the energetics which are used to confirm these proposed mechanisms or propose the actual mechanism when it's an open question.
Branches
git branch --listmenzmer-collaboration
The Menzmer group studies acid-catalyzed reactions of cyclic alcohols and alkenes. Our group aims to computationally confirm or determine the mechanisms for these reactions.
status: inactive