1 A theoretical study on structure, stability and effects of substituents on intermolecular interaction of complexes of CH3OCHX2 (X = H, F, Cl, Br, CH3) with 1CO2 and 1H2O = Nghiên cứu lý thuyết về cấu trúc, độ bền và ảnh hưởng của các nhóm thế đến tương tá / Phan Dang Cam Tu, Nguyen Tien Trung // .- 2023 .- Số 05 (60) - Tháng 10 .- P. 88-97 .- 541

Intermolecular interactions between CH3OCHX2 (X = H, F, Cl, Br, CH3) with carbon dioxide (CO2) and water (H2O) were theoretically investigated using high-level ab initio methods. The addition of an H2O molecule to the CH3OCHX2∙∙∙CO2 complex enhances the stability of ternary complexes. This finding supports the increase of solubility of CH3OCHX2 in supercritical CO2 with the presence of H2O.