Structures of low-energy isomers of and . In the nomenclature of Tables I and II are presented: (a) 1 , (b) 2 , (c) 3 , (d) 1 , and (e) 1 . The black atoms in (a) and (b) are on the axis, the light atom in (b) and (c) indicates atom movement in which the structures differ, the light atom in (d) and (e) corresponds to those added to structure (c).
Cohesive energies and second-order differences of GM energies of neutral .
Structures of low-energy isomers of some clusters for , contained in Table I: (a) 1 (the axis perpendicular to paper plane), (b) 1 , the light atoms indicate the distortion which destroys symmetry, (c) and (d) front and side view of 2 , the light color in (d) marks the atoms to be removed to get 1 and 1 .
Structures of low-energy isomers of for in the nomenclature of Tables I and II: (a) and (b) 1 front and side view, (c) 1 , (d) 2 , (e) 1 , (f) 2 , (g) 1 , and (h) 2 . The light color in (e) and (f) marks the atoms added to (a), the light atom in (g) is moved to the position marked in (h).
Comparison of energies of (eV) low-lying neutral clusters, calculated with PBE/def2-TZVP. is the running index ( the respective GM), G denotes the symmetry group, is the relative energy of isomers. represents cohesive energies, and the dissociation energies, vIP the vertical ionization potential of , vEA the vertical electron affinity. The asterisk indicates the GM structure found by AL. For the GM of AL is at 0.15, 0.24, and 0.27 eV.
Some properties of low-energy isomers and . The nomenclature is the same as in Table I. Indices a and c indicate anions and cations.
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