Browsing by Author "Melin, Junia"

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    • Relations between potential energy, electronic chemical potential, and hardness profiles 
      Cárdenas Jirón, G.; Gutiérrez Oliva, Soledad; Melin, Junia; Toro Labbé, Alejandro (American Chemical Society, 1997)
      In recent papers we defined a theoretical frame aimed at characterizing the hardness and potential energy profiles along a reduced reaction coordinate (omega) varying from 0 to 1. In this paper we generalize that model to ...