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In some aspects the McConnell I mechanism is a restatement of concepts introduced many years before by Heitler and London. Thus, dominant contact of atoms of two neighbouring molecules with spin densities having the same sign is equivalent to a non-zero overlap integral between their singly occupied molecular orbitals (SOMO) because such SOMOs are located on those atoms.
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35
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27844596101
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note
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B = -50.1 K and an additional interdimer term of θ = +10.4 K, corresponding to the magnetic interactions among the dimers.
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