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Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations

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Metz,  S.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Thiel,  W.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Dieterich, J. M., Werner, H. J., Mata, R. A., Metz, S., & Thiel, W. (2010). Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations. Journal of Chemical Physics, 132: 035101. doi:10.1063/1.3280164.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-8D3F-3
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