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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A Density Functional Theory Study on the Deformation Behaviors of Fe-Si-B Metallic Glasses

By Zheng Guang-Ping  

International Journal of Molecular Sciences, Vol. 13, Iss. 8, 2012-08 ,pp. : 10401-10409

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

By Gaines Etienne   Di Tommaso Devis  

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

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Density Functional Theory (DFT) Study of Triphenylamine-Based Dyes for Their Use as Sensitizers in Molecular Photovoltaics

By Baldenebro-López Jesús   Castorena-González José   Flores-Holguín Norma   Almaral-Sánchez Jorge   Glossman-Mitnik Daniel  

International Journal of Molecular Sciences, Vol. 13, Iss. 4, 2012-04 ,pp. : 4418-4432

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The Concept of Density Functional Theory Based Descriptors and its Relation with the Reactivity of Molecular Systems: A Semi-Quantitative Study

By Chandrakumar K. R. S.   Pal Sourav  

International Journal of Molecular Sciences, Vol. 3, Iss. 4, 2002-04 ,pp. : 324-337

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