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GGA + U modeling of structural,electronic, and magnetic properties of iron porphyrin-type molecules |
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| Authors: | Pooja M Panchmatia Biplab SanyalPeter M Oppeneer |
| Institution: | Department of Physics, Uppsala University, Box 530, S-751 21 Uppsala, Sweden |
| Abstract: | |
| Keywords: | Fe-porphyrin Ab initio DFT modeling GGA + U Fe-porphine |
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