Showing 1 - 3 results of 3 for search '"Hartree–Fock"', query time: 0.01s Refine Results
  1. 1
    NMR spectra of Azobenzene-bridged calix [8] arene complexes by ab initio hartree-fock calculations as nanostructure compound
    “… reported at Hartree-Fock (HF) theory by Gaussian 2003 of program package. In this work, the complexing…”
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  2. 2
    Effects of spin contamination on the stability and spin density of wave function of graphene: comparison between first principle and density functional methods
    “… in the Hartree-Fock wavefunction (HF), Møller-Plesset perturbation theory (second order, MP2 and fourth order…”
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  3. 3
    Ab initio NMR studies of chemical constituents of piper sarmentosum
    by Ibrahim Ali , Noorbatcha
    Published 2002
    “… Hartree Fock (HF) and Density Functional Theory (DFT) methods. We find that the ab initio calculations…”
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