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Ab Initio Molecular Dynamics Study of an Aqueous Solution of [Fe(bpy)3](Cl)2 in the Low-Spin and in the High-Spin States
L.A.M. Lawson Daku and A. Hauser
Journal of Physical Chemistry Letters, 1 , 2010, p1830-1835
DOI:10.1021/jz100548m | unige:14751 | Abstract | Article HTML | Article PDF