Non-covalent Interactions in Selected Transition Metal Complexes
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Fig. 3 ETS energy decomposition results describing the interaction of “vertical” (right) and “horizontal” (left) water molecules with the rest of the complex in ZnNTPA and ZnNTA complexes (panel
a). In addition, the leading deformation densities (ρ 1 ) together with the corresponding energies
(E orb [1]) are presented based on ETS-NOCV method (panel b). Reprinted with permission from
[50]. Copyright (2011) American Chemical Society
73
Fig. 3 ETS energy decomposition results describing the interaction of “vertical” (right) and “horizontal” (left) water molecules with the rest of the complex in ZnNTPA and ZnNTA complexes (panel
a). In addition, the leading deformation densities (ρ 1 ) together with the corresponding energies
(E orb [1]) are presented based on ETS-NOCV method (panel b). Reprinted with permission from
[50]. Copyright (2011) American Chemical Society