Table S1，Table S2，Table S3
dataset
posted on 2025-05-02, 12:07 authored by Zonghui Guo, Shihu Du, Wei Huang, Wenbao Zhao, Haiyan Han, zhi zhao, Yongliang Yan, Zhihui Fan, Ruili Shi, Hua Xie, Ling JiangRelative energy differences of Au(CO2)n− (n = 2, 3) Calculated using various functionals and basis sets (Table S1); Comparison of calculated and experimental VDE values for Au(CO2)n− (n = 2, 3) using various functionals and basis sets (Table S2); Spin multiplicities and corresponding energies for the Au(CO2)2− (Table S3).
