DFT Study of Complexation Reactions Involving Dicarboxylic Acids: Hydrogen Bonds, Influence of Solvent Nature
BULLETIN OF THE UNIVERSITY OF KARAGANDA-CHEMISTRY（2022）
关键词
quantum chemical calculations,density functional theory,hydrogen bond,intermolecular hydrogen bonds,transient formation,complex compounds,frontier molecular orbitals,dimerization energy,complexation energy,effect of the nature of the solvent
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