Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques - researchr publication

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Jordi Poater, Miquel Duran, Miquel Solà. Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques. Journal of Computational Chemistry, 22(14):1666-1678, 2001. [doi]

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