• closedAccess   Computational study on hydrolysis of Cefotaxime in gas phase and in aqueous solution 

      Meliá, Conchín; Ferrer, Silvia; Moliner, Vicent; Tuñón, Iñaki; Beltrán, Juan Wiley-Blackwell (2012)
      We are presenting a theoretical study of the hydrolysis of a β-lactam antibiotic in gas phase and in aqueous solution by means of hybrid quantum mechanics/molecular mechanics potentials. After exploring the potential energy ...