Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions - researchr publication

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Gongyi Hong, Marek Strajbl, Tomasz A. Wesolowski, Arieh Warshel. Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions. Journal of Computational Chemistry, 21(16):1554-1561, 2000. [doi]

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