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Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
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Including Torsional Anharmonicity in Canonical and Microcanonical Reaction Path Calculations

Jingjing Zheng1, Donald G Truhlar1

  • 1Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.

Journal of Chemical Theory and Computation
|November 20, 2015
PubMed

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