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Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation

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http://pubman.mpdl.mpg.de/cone/persons/resource/persons59045

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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Khandogin, J., Gregersen, B. A., Thiel, W., & York, D. M. (2005). Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation. Journal of Physical Chemistry B, 109(19), 9799-9809. doi:10.1021/jp044062d.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-95AD-A
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