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

Química Nova

Benjamim H. De Lima Silva¹  Marcos A. Bezerra De Melo¹ 

关键词: trihalomethanes;    interaction potential;    Bäcklund transformations;   

DOI  :  10.5935/0100-4042.20150013

来源: SciELO

【 摘 要 】

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.

【 授权许可】

CC BY-NC   
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