Titlebook: Computational Modeling of Homogeneous Catalysis; Feliu Maseras,Agustí Lledós Book 2002 Springer Science+Business Media Dordrecht 2002 Ion.

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Computational Methods for Homogeneous Catalysis,The methods commonly used for the computational modeling of homogeneous catalysis are briefly reviewed, with emphasis on their accuracy and range of applicability. Special mention is made to extended Hückel, Hartree-Fock and derived methods, density functional theory, molecular mechanics and hybrid quantum mechanics/molecular mechanics methods.