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...
CITATION STYLE
Maseras, F., & Lledós, A. (2002). Computational Methods for Homogeneous Catalysis (pp. 1–21). https://doi.org/10.1007/0-306-47718-1_1
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