. 2018 Sep 20;122(40):22939–22952. doi: 10.1021/acs.jpcc.8b05658

Table 3. Barrier Heights (E_b) and Positions (Z_b, r_b) for Dissociative Chemisorption of H₂ on Ag(111) Above Different Sites in Which H₂ is Parallel to the Surface (θ = 90°)^a.

configuration	ϕ°	Z_b (Å)	r_b (Å)	E_b (eV)
top	0	1.51	1.57	1.69
bridge	90	1.10	1.27	1.38
t2f	240	1.34	1.45	1.58
fcc	0	1.34	1.67	1.70

The results are provided for the SRP48 PES.

Table 3. Barrier Heights (Eb) and Positions (Zb, rb) for Dissociative Chemisorption of H2 on Ag(111) Above Different Sites in Which H2 is Parallel to the Surface (θ = 90°)a.