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Towards a computational design of an oxygen tolerant H 2 converting enzyme

Towards a computational design of an oxygen tolerant H 2 converting enzyme. Jochen Blumberger University College London, UK. CCSWS4 workshop, IPAM Los Angeles, 18 May 2011. Methods and properties. Electronic structure theory (DFT). Observables: -ionic structure -electronic structure

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Ccsws4 workshop - PowerPoint PPT Presentation

Towards a computational design of an oxygen tolerant H 2 converting enzyme