Comparison of Free Energy Surfaces Calculations from Ab Initio Molecular Dynamic Simulations at the Example of Two Transition Metal Catalyzed Reactions

Author： Brüssel Marc   di Dio Philipp J.   Muñiz Kilian   Kirchner Barbara  

Publisher： MDPI

E-ISSN： 1422-0067|12|2|1389-1409

ISSN： 1422-0067

Source： International Journal of Molecular Sciences, Vol.12, Iss.2, 2011-02, pp. : 1389-1409

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