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Proceedings
2014 AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling
(120d) A Combined Density Functional Theory and Molecular Dynamics Approach for Quantifying Catalytic Energies in Water
2014 AIChE Annual Meeting
(120d) A Combined Density Functional Theory and Molecular Dynamics Approach for Quantifying Catalytic Energies in Water
Authors
Bodenschatz, C. - Presenter
, Clemson University
Getman, R. B.
, University of Notre Dame