disynaptic basin accounting for the ring closure is accompanied by a diminution of
the V(O1) monosynaptic basins population.
10.5.2.4 Mechanism C
A third pathway was found to compete with the already explained mechanisms. The
third pathway is a one-step process directly leading from the glycolic acid to the
(a)
(b)
(c)
(f)
(d)
(g)
(h)
(e)
Fig. 10.16 Snapshots of the ELF localization domains (η = 0.825 isosurface, except when
indicated) for selected points along the IRC from TS3: a glycolic acid, belonging to SSD-I
(η = 0.85 isosurface), with recall of some atom positions and basin labels, b point at s ≈ −2.996
amu
1/2 bohr belonging to SSD-II c point at s ≈ −1.496 amu
1/2 bohr belonging to SSD-III, d point
at s ≈ −0.698 amu
1/2 bohr belonging to SSD-IV, e point at s ≈ −0.398 amu
1/2 bohr belonging to
SSD-V, f TS belonging to SSD-VI, g point at s ≈ +2.496 amu
1/2 bohr belonging to SSD-VII, h last
point of the IRC, corresponding to carbon monoxide plus water and formaldehyde, belonging to
SSD-VIII
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