Table 3.

Binding energies and relevant distances for methylthiol–gold physical adsorption.

sitea	CN (Au)	Eb (eV)b	d (Å)	Nneigh.	dC−Au;avg	Em (eV)
a	3	−1.04	2.44	4	4.16	−0.23
b	7	−1.08	2.51	6	3.96	−0.57
c	6	−1.43	2.48	7	3.90	−0.68
d	6	−0.70	2.56	3	3.95	−0.31
e	9	−0.74	2.67	5	3.88	−0.63
f	8	−0.92	2.55	6	4.06	−0.57
g	4	−1.26	2.46	6	3.69	−0.54
h	4	−0.94	2.47	2	3.45	−0.26
i	5	−0.75	2.64	5	3.91	−0.47
j	4	−1.03	2.45	2	3.44	−0.27

^aIf not otherwise specified, headings are they same as in Table 1. ^bBinding energies were calculated by Equation 4.