The reaction volume approach

Table 2 The Various Couplings Included in the Reaction Volume Approach...

In the reaction volume approach the reference frame is a function of three parameters taken to be the hyperspherical variables defining the size and shape of the reaction center of the polyatomic system. Thus each atom in the system has a reference position a,(p, 9,4>) which is defined by minimizing the gradient, i.e., the force on each individual atom of the system. That is the gradient is minimized subject to the three... 

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