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. 2024 Apr 26;9(18):20547–20556. doi: 10.1021/acsomega.4c01941

Table 2. Energies of Au(I), (SDD)-Au+, (2SDD)-Au+, and SDD

ions energies (kJ/mol)
Au(I) –3.55 × 105
(SDD)-Au+ –2.90 × 106
(2SDD)-Au+ –5.44 × 106
SDD –2.54 × 106
E [(SDD)-Au+]–E (SDD)–E (Au(I)) –833.50
E [(2SDD)-Au+]–E (2SDD)–E (Au(I)) –1060.73