A modification of INDO for interpretatio
β
C. Fridh; L. Γ
sbrink; E. Lindholm
π
Article
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1972
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Elsevier Science
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English
β 559 KB
It is possible to attain improved agreement between photoelectron-spectroscopic ionization potentials and theoretical orbitat energies simultaneously for all electrons of Some hydrocvbons by a suitable parametrization of INDO in its modified form, MINDO. The changed parameters concern mainly the res