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Combined QM/MM molecular dynamics study on a condensed-phase SN2 reaction at nitrogen: The effect of explicitly including solvent polarization

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons59044

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

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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Citation

Geerke, D. P., Thiel, S., Thiel, W., & van Gunsteren, W. F. (2007). Combined QM/MM molecular dynamics study on a condensed-phase SN2 reaction at nitrogen: The effect of explicitly including solvent polarization. Journal of Chemical Theory and Computation, 3, 1499-1509. doi:10.1021/ct7000123.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-916D-B
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