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What is going on in the chemists flask

Let us imagine the molecular ttynamics on eneigy hypersurface calculated using a quantum-mechanical method (classical force fields are not appropriate since they offer non-breakable chemical bonds). The tystem is represented by a point that slides downhill (with an increasing velocity) and climbs uphill (with deceasing velocity). The system has a certain kinetic energy, because chemists often heat their flaslffi. [Pg.821]

Let us assume that, first the tystem wanders through those regions of the hypersurface which are far from other electronic states in the energy scale. In such a situation, the adiabatic approximation (Chapter 6) is justified and the electronic [Pg.821]

Intermolecular Motion of Electrons and Nuclei Chemical Reactions [Pg.822]




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