(b)
Figure 3. The stress tensor trajectories
Tσ(s ) of the CW (-180.0° ≤ θ ≤ 0.0°) and CCW (0°
≤ θ ≤ 180.0°) rotations of the C1-H3 BCP bond-path and C1-H10BCP bond-path of C1-N7 BCP torsional bonds for glycine
(left panel), the corresponding plots for the C1-D3/D10 BCP(middle panel) and C1-T3/T10 BCP (right panel) are presented in
sub-figure (a) . The Tσ(s ) of the
non-isotopomer C-H3/10 BCP s are presented in sub-figure(b) , also see the caption of Figure 1 for further
details.
Table 2(a). The maximum projections
Tσ(s )max =
{(e1σ∙dr)max → bond-twist,(e2σ∙dr)max → bond-flexing,(e3σ.dr)max →bond-axiality} values for the C1-N7 BCP , C1-H3/D3/T3 BCP ,
C1-H10/D10/T10 BCP , C2-O5 BCP and O5-H6 BCPbond-paths of the CW and CCW torsions of the C1-N7 BCP bond-path
of the isotopomers of glycine, all entries are multiplied by
103.