. 2021 Apr 21;125(17):8993–9010. doi: 10.1021/acs.jpcc.0c11034

Table 10. Ratio of ν = 1 : ν = 0 Molecules Desorbing from Au(111) as Measured in Experiments⁶⁸ and Computed with the MS-PBEl,²⁴ MS-PBEl-rVV10, MS-B86bl,²⁴ MS-B86bl-rVV10, and MS-RPBEl-rVV10 DFs.

Table 10. Ratio of ν = 1 : ν = 0 Molecules Desorbing from Au(111) as Measured in Experiments68 and Computed with the MS-PBEl,24 MS-PBEl-rVV10, MS-B86bl,24 MS-B86bl-rVV10, and MS-RPBEl-rVV10 DFs.