Density functionals = thermochemistry /
Johnson, Erin R.

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  • Density functionals = thermochemistry /
  • 紀錄類型: 書目-電子資源 : Monograph/item
    正題名/作者: Density functionals/ edited by Erin R. Johnson.
    其他題名: thermochemistry /
    其他作者: Johnson, Erin R.
    出版者: Cham :Springer International Publishing : : 2015.,
    面頁冊數: vii, 189 p. :ill., digital ;24 cm.
    內容註: Real-space correlation models -- Functional development, RPA, dispersion -- Range-separated functionals -- Non-local functionals for surface chemistry -- Combining DFT and wave function methods -- Homodesmotic reactions, substituent effects -- Dispersion interactions -- Local-hybrid functionals -- Isodesmic reactions, strain, conjugation -- Partition density functional theory Fractional charges and spins.
    Contained By: Springer eBooks
    標題: Density functionals. -
    電子資源: http://dx.doi.org/10.1007/978-3-319-19692-3
    ISBN: 9783319196923 (electronic bk.)
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