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Sum of electronic and zero-point Energies
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Formation energies ¢Ecomplex for the complexes with C60 were
calculated according to the following formula

¢Ecomplex = Ecomplex - (EC60+ EP)
where E is the corresponding absolute energy and P is the
porphine ligand or its metal derivative.
3Â¥2008-04-22 17:34:09
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