Titlebook: Collision Theory and Statistical Theory of Chemical Reactions; Stefan G. Christov Textbook 1980 Springer-Verlag Berlin Heidelberg 1980 Act

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0342-4901 ns of electrons and nu- clei by making use of the Born-Oppenheimer adiabatic approximation to obtain electronic energy as an effective potential for nuclear mot978-3-540-10012-6978-3-642-93142-0Series ISSN 0342-4901 Series E-ISSN 2192-6603

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Textbook 1980y one or the other side of the problem. At present, the basic approach in the theory of chemical reactivity consists in separating the motions of electrons and nu- clei by making use of the Born-Oppenheimer adiabatic approximation to obtain electronic energy as an effective potential for nuclear mot

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The Potential Energy of Reactive Systems,rons constituting the interacting atoms and molecules. We denote by x the set of nuclear coordinates and by z the set of electron coordinates. From the point of view of quantum mechanics, the system is described quite generally by a wave function Ψ(x,z,t) which depends on all these coordinatei and o

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Concluding Remarks,motions which permits a definition of the potential energy as a function of internuclear distances. This approach proves to be very useful for the study of electronically adiabatic reactions, provided a separation of the rotation of the reacting system, treated as a supermolecule, is possible. In ge

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