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Gavernet Luciana Saraví Cisneros Hebe Saraví Bruno-Blanch Luis E. Estiú Gguillerminal L. 《Theoretical chemistry accounts》2003,110(6):434-440
A theoretical study of the mechanisms associated with the synthesis of anticonvulsant symmetric N,N-substituted sulfamides is presented. Two possible synthetic routes are compared, which mainly differ in the use of pyridine as a nucleophilic agent in the reaction mechanism. Geometry optimization techniques and transition-state detection at the B3LYP/6-31G** level, modeling the solvent by means of an isodensity polarizable continuum approach, allow the most suitable method for the experimental process to be discerned.From the Proceedings of the 28th Congreso de Químicos Teóricos de Expresión Latina (QUITEL 2002) 相似文献
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