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- W2364291215 abstract "Glycyrrhetinic acid is one active component of Glycyrrhiza uralensis Fisch,especially,its derivatives exhibit broad spectrum biological activities.To provide the scientific evidence for the structure modification of glycyrrhetinic acid,the bond lengths,bond angles and dihedral angels were calculated by DFT-B3LYP/6-31G and HF/6-31G methods.Subsequently,the optimized structure,charge distribution,molecular total energy,HOMO and LUMO energy were calculated at DFT-B3LYP/6-31G(d,p) basis.The results showed that the molecular geometry optimization of the structure and the calculation method used were reliable." @default.
- W2364291215 created "2016-06-24" @default.
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- W2364291215 date "2011-01-01" @default.
- W2364291215 modified "2023-09-24" @default.
- W2364291215 title "The Quantum Chemistry Calculation of the Structure of 18β-glycyrrhetinic Acid" @default.
- W2364291215 hasPublicationYear "2011" @default.
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