Solvation and Aggregation of Meta-Aminobenzoic Acid in Water: Density Functional Theory and Molecular Dynamics Study
Meta-aminobenzoic acid, an important model system in the study of polymorphism and crystallization of active pharmaceutical ingredients, exist in water in both the nonionic (mABA) and zwitterionic (mABA±) forms. However, the constituent molecules of the polymorph that crystallizes from aqueous solut...
Main Authors: | Etienne Gaines, Devis Di Tommaso |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2018-01-01
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Series: | Pharmaceutics |
Subjects: | |
Online Access: | http://www.mdpi.com/1999-4923/10/1/12 |
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