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. 2015 Apr 2;6(7):3868–3880. doi: 10.1039/c4sc03321c

Table 1. Descriptors a εi in the topological energy expressions ETOPeqn (1) for the Pd70X70 NPs (see Methodology part) with their precision, δ, and accuracy, ΔE, values (in meV) and number of structures used for the fitting, NFIT.

X Au Ag Cu Zn
ε Pd–X BOND –13+4–6 –1+2–2 –26+5–5 –160+52–40
ε X CORNER –404+76–72 –361+50–68 95+36–33 –251+316–342
ε X EDGE –301+52–77 –289+78–129 147+46–45 –205+280–243
ε X TERRACE –200+52–64 –163+43–64 183+42–40 –90+231–234
ε LAYER –105+29–38
N FIT 32 53 127 28
δ 115 150 360 348
ΔE 26 29 171 0

a95% confidence intervals of εi are also given, e.g. –13+4–6 means that the interval is –19 to –9.