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List of Tables
Оглавление1 Chapter 2Table 2.1 Examples of ligated clusters with effective number (ne) of valenc...Table 2.2 Electron affinities (in eV) of ground state molecules.Table 2.3 First and second electron affinity (EAs) and vertical detachment ...
2 Chapter 3Table 3.1 The VDEs (in eV) for (NaCl2)−.Table 3.2 The VDEs (in eV) of (BF4 − n R n )− anion...Table 3.3 EAs (in eV) and VDEs (in eV) of neutral and anionic systems conta...Table 3.4 EAs (in eV) and VDEs (in eV) of neutral and anionic polynuclear s...Table 3.5 VDEs predicted for the (H n F n + 1)− (n = 1–5,...Table 3.6 VDEs for the most stable isomers of various polynuclear superhalo...Table 3.7 VDEs (in eV) of superhalogen anions solvated by various number of...
3 Chapter 6Table 6.1 Interfacial structures and theB values (see text) of representati...Table 6.2 Atomic structures of representative Au MPCs.Table 6.3 Atomic structures of representative Ag MPCs.Table 6.4 Atomic structures of representative MAu12 and MAg12 superatoms.Table 6.5 Atomic structures of Au MPCs with oblate superatomic cores.Table 6.6 Atomic structures of Au MPCs with prolate superatomic cores.
4 Chapter 7Table 7.1 Critical diameters and number of electrons for metal clusters when...Table 7.2 The correlation between the electronic structure and binding chara...
5 Chapter 8Table 8.1 Experimental energies (E 0) at the Γ point and effective electron ...Table 8.2 Binding energiesE with respect to C60, inter‐cluster center–center...Table 8.3 The optimized lattice constants (a); binding energies (E b); geome...Table 8.4 Lattice constant (a), the range of Ta‐Si distances (d Ta‐Si)...
6 Chapter 10Table 10.1 Unit cell parameters (a, c, Å), densities ( ρ , g/cm3), bulk...Table 10.2 Vertical detachment energies (VDEs), energies to dissociate the L...Table 10.3 Dissociation energies in lithium salt (ΔE Li1, ΔE Li2) and in mag...Table 10.4 Key information about the cluster ions in the super‐LiRAP family....Table 10.5 The calculated Goldschmidt's tolerance factor, , of the studied ...Table 10.6 Binding energies (BE, in eV) between the metal cation and the bor...
7 Chapter 11Table 11.1 Thermal and physical properties of SACs at room temperature.
8 Chapter 12Table 12.1 The MP2/6 − 311 + G(d) calculated relative energy (ΔE), binding e...Table 12.2 Adiabatic ionization energies (AIE) in eV, adiabatic electron aff...
