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Solvation and Aggregation of Meta-Aminobenzoic Acid in Water: Density Functional Theory and Molecular Dynamics Study

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Pharmaceutics, Vol. 10, Iss. 1, 2018-01 ,pp. : 12-12

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Density Functional Theory (DFT) Study of Edaravone Derivatives as Antioxidants

By Borges Rosivaldo S.   Queiroz Auriekson N.   Mendes Anna P. S.   Araújo Sanderson C.   França Luiz C. S.   Franco Edna C. S.   Leal Walace G.   da Silva Albérico B. F.  

International Journal of Molecular Sciences, Vol. 13, Iss. 6, 2012-06 ,pp. : 7594-7606

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Comparative QSTR Study Using Semi-Empirical and First Principle Methods Based Descriptors for Acute Toxicity of Diverse Organic Compounds to the Fathead Minnow

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Conformational Analysis, Molecular Structure and Solid State Simulation of the Antiviral Drug Acyclovir (Zovirax) Using Density Functional Theory Methods

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