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ChemInform Abstract: Ab initio Studies on Proton Affinities of Substituted Oxazoles

โœ Scribed by H.-M. LEE; S.-E. LEE; M.-S. CHANG; B.-K. PARK; G.-Y. LEE


Book ID
112026692
Publisher
John Wiley and Sons
Year
2010
Weight
24 KB
Volume
27
Category
Article
ISSN
0931-7597

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An ab initio study of the proton affinit
โœ Shahrzad Kabir; Anne-Marie Sapse ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 317 KB

The proton affinities of imidazole, oxazole, and thiazole rings, relevant to the binding of lexitropsins that contain these rings to the minor groove of DNA, are calculated using ab initio (Hartree-Fock) calculations. It is found that the proton affinities decrease in the order imidazole, oxazole, t