Browsing Teses e dissertações by Author "Prado, Carlos Eduardo Resende"

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    • Termodinâmica de líquidos iônicos via simulação computacional. 

      Prado, Carlos Eduardo Resende (Universidade Federal de São Carlos, UFSCar, Programa de Pós-Graduação em Química - PPGQ, , 04/10/2006)
      In this work classical molecular dynamics was used to study the pure ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate, [BMIM]+[BF4]-, and some solutions based in it. The OPLS-AA force field and CHelpG derived ...