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Variational transition-state theory
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<p>Variational transition-state theory is a refinement of <a href="/facts/Transition-state_theory/s3MPBbpx">transition-state theory</a>. When using transition-state theory to estimate a chemical <a href="/facts/Reaction_rate/Prwvxq0y">reaction rate</a>, the dividing surface is taken to be a surface that intersects a first-order <a href="/facts/Saddle_point/v5MT6YbM">saddle point</a> and is also perpendicular to the reaction coordinate in all other <a href="/facts/Dimension/0ktmUyac">dimensions</a>. When using variational transition-state theory, the position of the dividing surface between <a href="/facts/Reagent/c3GLInCu">reactant</a> and <a href="/facts/Product_(chemistry)/8uCoDUdv">product</a> regions is variationally optimized to minimize the reaction rate. This minimizes the effects of recrossing, and gives a much more accurate result. </p>