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

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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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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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Effect of pH on the Aggregation of α-syn12 Dimer in Explicit Water by Replica-Exchange Molecular Dynamics Simulation

By Cao Zanxia   Zhang Xiumei   Liu Lei   Zhao Liling   Li Haiyan   Wang Jihua  

International Journal of Molecular Sciences, Vol. 16, Iss. 7, 2015-06 ,pp. : 14291-14304

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Conformational Solvation Studies of LIGNOLs with Molecular Dynamics and Conductor-Like Screening Model

By Sandberg Thomas   Eklund Patrik   Hotokka Matti  

International Journal of Molecular Sciences, Vol. 13, Iss. 8, 2012-08 ,pp. : 9845-9863

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