Neo-Chlorogenic Acid: Conformational and Molecular Analysis by Semi-Empirical Methods

publication · 3 months ago
by Caio Henrique Alexandre Roberto, Emmanuel Silva Marinho, Othon Souto Campos (Ceara State University)
Marvin

This paper shows results regarding semiempiric results for neochlorogenic acid, from geometrical results to molecular descriptors. The gap energy of neochlorogenic acid is considerably higher, having great potential to biochemical applications.

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