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Browsing Institut de Química Computacional (fins al 2013) by Author "Salvador Sedano, Pedro"

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    Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions 

    Salvador Sedano, Pedro (Date of defense: 2001-12-20)

    This thesis deals with the so-called Basis Set Superposition Error (BSSE) from both a methodological and a practical point of view. The purpose of the present thesis is twofold: (a) to contribute step ahead in the correct ...