Deng, XuepengXuepengDengHan, YangYangHanLI-CHIANG LINWinston Ho, W. S.W. S.Winston Ho2023-05-222023-05-222022-10-1513835866https://scholars.lib.ntu.edu.tw/handle/123456789/631269A new measurement of steric hindrance effect of amines, N exposure, is proposed. N exposure outperforms traditional parameters as it is independent of group-specific parameters and accounts for the spatial arrangements of pendant groups. Such a measurement can facilitate the screening of sterically hindered amines for carbon capture with improved CO2 loading capacities. Along with this study, a script is provided to quantify the N exposure for other amine molecules of interest.Amine–CO reaction 2 | CO capture 2 | Density functional theory | Steric hindrance[SDGs]SDG6[SDGs]SDG13journal article10.1016/j.seppur.2022.1216012-s2.0-85134350154WOS:000831654100002https://api.elsevier.com/content/abstract/scopus_id/85134350154