When you set up the initial geometry of a TS in Gaussian, should I be modelling the charge and spin multiplicity of the TS itself or either the product/reactant? For example, in the case of the dissociation of acetic acid in aqueous solution (see link), I assume the H is between the H3O(+) and acetic acid. What charge would I give the water molecule as the third hydrogen is technically being shared with the carbonyl group for a fraction of time? 

Many thanks

Anthony

http://upload.wikimedia.org/wikipedia/commons/9/96/Acetic-acid-dissociation-3D-balls.png

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