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Computational Inorganic and Bioinorganic Chemistry


[PDF.lg70] Computational Inorganic and Bioinorganic Chemistry

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 | #4077293 in Books |  2009-10-19 | Original language:English | PDF # 1 |  11.32 x1.44 x8.82l,4.75 | File type: PDF | 614 pages

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Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowi...

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