Equilibrium geometries and electronic structure of iron-porphyrin complexes: A 
density functional study.

Rovira, C.; Kunc, K.; Hutter, J.; Ballone, P.; Parrinello, M.

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Equilibrium geometries and electronic structure of iron-porphyrin complexes: A density functional study.

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Rovira, C.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Kunc, K.
Former Scientific Facilities, Max Planck Institute for Solid State Research, Max Planck Society;
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;
Department Solid State Quantum Electronics (Jochen Mannhart), Max Planck Institute for Solid State Research, Max Planck Society;

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Hutter, J.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Ballone, P.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Parrinello, M.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Rovira, C., Kunc, K., Hutter, J., Ballone, P., & Parrinello, M. (1997). Equilibrium geometries and electronic structure of iron-porphyrin complexes: A density functional study. Journal of Physical Chemistry A, 101, 8914-8925.

Cite as: https://hdl.handle.net/21.11116/0000-000E-D9CA-A

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