Abstract: A Combined Density Functional Theory and Molecular Dynamics Approach for Quantifying Catalytic Energies in Water (2014 Annual Meeting)

382617 A Combined Density Functional Theory and Molecular Dynamics Approach for Quantifying Catalytic Energies in Water

Monday, November 17, 2014: 1:30 PM

307 (Hilton Atlanta)

Cameron Bodenschatz and Rachel B. Getman, Chemical and Biomolecular Engineering, Clemson University, Clemson, SC

Abstracts:

Bodenschatz AIChE Comp Cat I Abstract.pdf (314.3KB) - Uploading Abstracts

Extended Abstract: File Not Uploaded

See more of this Session: Computational Catalysis I: DFT + Monte Carlo, Molecular Dynamics, Explicit and/or Implicit Solvation, and/or Empirical Modeling
See more of this Group/Topical: Catalysis and Reaction Engineering Division