Browsing by Author "c5254a04-a8e1-4710-bbbf-e6bab0a93606"

Now showing items 1-4 of 4

    • Chemical reactivity descriptors for ambiphilic reagents: Dual descriptor, local hypersoftness, and electrostatic ... 
      Cárdenas, Carlos; Rabi, Nataly; Ayers, Paul W.; Morell, Christophe; Jaramillo, Paula; Fuentealba Rosas, Patricio (2009)
      The second-order response of the electron density with respect to changes in electron number, known as the dual descriptor, has been established as a key reactivity indicator for reactions like pericyclic reactions, where ...
    • Nucleophilicity scale for n- and π-nucleophiles 
      Jaramillo, Paula; Fuentealba Rosas, Patricio; Pérez, Patricia (2006)
      A recently introduced empirical nucleophilicity index for a series of n- and π-nucleophiles was evaluated. The index is based on the frontier molecular orbital information of the nucleophile and its electrophilic partner. ...
    • On the nucleophilicity of boryllithium compounds. A theoretical study 
      Jaramillo, Paula; Pérez, Patricia; Fuentealba Rosas, Patricio (American Chemical Society, 2009)
      Boron compounds are widely used in synthetic chemistry. The synthesis of the compounds is relatively easy, presenting thermodynamic stability and synthetic versatility. Almost all of them show electrophilic reactivity. ...
    • Relationship between basicity and nucleophilicity 
      Jaramillo, Paula; Pérez, Patricia; Fuentealba Rosas, Patricio (2007)
      The empirical concepts of basicity and nucleophilicity are related but not strictly proportional. Hence, the aim of this study is to help in elucidating the range where both concepts are directly proportional. To do this, ...