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Role of ligand bending in the photodissociation of O2 vs CO-heme: a time-dependent density functional study |
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| Authors: | De Angelis Filippo Car Roberto Spiro Thomas G |
| Affiliation: | Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA. filippo@thch.unipg.it |
| Abstract: | Time-dependent DFT calculations reveal a strong dependence of low-lying excited states on the |
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