Variational transition state theory is a refinement of transition state theory. When using transition state theory to estimate a chemical reaction rate, the dividing surface is taken to be a surface that intersects a first-order saddle point and is also perpendicular to the reaction coordinate in all other dimensions. When using variational transition state theory, the position of the dividing surface between reactant and product regions is variationally optimized to minimize the reaction rate. This minimizes the effects of recrossing, and gives a much more accurate result.
Famous quotes containing the words transition, state and/or theory:
“The god or hero of the sculptor is always represented in a transition from that which is representable to the senses, to that which is not.”
—Ralph Waldo Emerson (1803–1882)
“It’s important to remember that feminism is no longer a group of organizations or leaders. It’s the expectations that parents have for their daughters, and their sons, too. It’s the way we talk about and treat one another. It’s who makes the money and who makes the compromises and who makes the dinner. It’s a state of mind. It’s the way we live now.”
—Anna Quindlen (20th century)
“It makes no sense to say what the objects of a theory are,
beyond saying how to interpret or reinterpret that theory in another.”
—Willard Van Orman Quine (b. 1908)