[PDF.59fk] A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements (SpringerBriefs in Molecular Science)

A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements (SpringerBriefs in Molecular Science)

[PDF.rj52] A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements (SpringerBriefs in Molecular Science)

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 | #7982231 in Books |  2013-11-19 |  2013-12-04 | Original language:English | PDF # 1 |  9.25 x.29 x6.10l,.40 | File type: PDF | 110 pages

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A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements covers the most recent progress in the development of a new generation of density functional theory (DFT) for accurate descriptions of thermochemistry, thermochemical kinetics, and nonbonded interactions of main group molecules. In this book, the authors present the doubly hybrid density functionals (DHDFs), which dramatically improve the accuracy for predictions...

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