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- W2389079049 abstract "Indigo and indirubin are isomer but they have different physical and chemical feature and biologic activity. Optimize the geometric structure using B3LYP method with the basis sets 6-31G*,the result of the energy of isomerization is obtained. Population,vibrational frequency,bonding behavior and NBO analysis are performed. According to the results,all atoms of indigo and indirubin are coplanar ,the two molecules are constituted by a π conjugative system except hydrogen atoms. There are also hydrogen bonds in the two molecules,which make the two molecules more stable." @default.
- W2389079049 created "2016-06-24" @default.
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- W2389079049 date "2004-01-01" @default.
- W2389079049 modified "2023-09-27" @default.
- W2389079049 title "Theoretical Study of Indigo and its Isomer" @default.
- W2389079049 hasPublicationYear "2004" @default.
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