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gusher
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cumber
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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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分期付款
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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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Reverie
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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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狗窝
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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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