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TRIHALOMETANOS EM ÁGUA POTÁVEL E RISCOS DE CÂNCER: SIMULAÇÃO USANDO POTENCIAL DE INTERAÇÃO E TRANSFORMAÇÕES DE BÄCKLUND

TRIHALOMETHANES IN FRESH WATER AND CANCER HAZARD: SIMULATION USING INTERACTION POTENTIAL AND BÄCKLUND TRANSFORMATIONS

We briefly investigated the well-known correlation of trihalomethanes, present in fresh water, with cancer hazard in humans. A transient alternative method of chemical simulation using Bäcklund Transformations and Quantum Mechanics is presented. Finally, the method was applied to simulate the interaction between Trichloridemethane and Alanine - as well as its amino and carboxyl groups.

trihalomethanes; interaction potential; Bäcklund transformations


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