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Journal of Theoretical Chemistry
Table of Contents
Journal of Theoretical Chemistry
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2013
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Article
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Tab 7
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Research Article
Metal Ion Selectivity of Kojate Complexes: A Theoretical Study
Table 7
HOMOs and LUMOs for the ligand and the 1 : 1 complexes, along with their energies (eV).
Labels
HOMO
LUMO
Kojate anion
1.030
3.066
Mn(II)
−9.465
−7.807
Co(II)
−9.403
−8.509
Ni(II)
−8.800
−6.708
Cu(II)
−9.492
−7.217
Zn(II)
−9.693
−8.525
Cd(II)
−9.346
−8.549
Hg(II)
−9.607
−9.351