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• (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

Author(s) : Salvador Sedano, Pedro
Description : 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 characterization of weakly bound complexes and, (b) to shed light the understa...
Repository : Universitat de Girona: Tesis Doctorals en Xarxa (TDX) , View repository documents
Language(s) : English
Subject(s) : Método Counterpoise , Hydrogen bonded complexes , Error de superposició de base , Mètode Counterpoise , Ponts d'hidrogen , Química quàntica , Quantum chemistry , Set superposition error , Puntos de hidrógeno , Química cuántica , Error de superposición de base , Counterpoise method , 544 - Química física
Publisher(s) : Universitat de Girona
Contributor(s) : Duran i Portas, Miquel , Universitat de Girona. Institut de Química Computacional
Source(s) : TDX (Tesis Doctorals en Xarxa)
Publication Date(s) : 2001-12-20