2020 Spin-state dependence of the structural and vibrational properties of solvated iron(
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Spin-state dependence of the structural and vibrational properties of solvated iron(ii ) polypyridyl complexes from AIMD simulations: III. [Fe(tpen)]Cl2 in acetonitrile
Abstract: AIMD study of the SCO [Fe(tpen)]2+ complex in acetonitrile: radial distribution functions and running coordination numbers characterizing its solvation structure in the HS state.
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