Heyden, A.

Authored

(570am) Theoretical Investigation of Oxygen Ion Transport in Doped Perovskite and Double Perovskite Structures of SrTiO3 and Sr2Fe1.5Mo0.5O6 for Solid Oxide Fuel Cell Applications
2010 Annual Meeting
(214e) Theoretical Investigation of Reaction Pathways of the Deoxygenation of Propanoic Acid to Propane Over Pd(111) Model Surfaces
2010 Annual Meeting
(570al) Theoretical Investigation of the Three-Phase Boundary of Ceria Supported Noble Metal Clusters
2010 Annual Meeting
(139b) Theoretical Investigation of the Water-Gas Shift Reaction at the Three-Phase Boundary of TiO2 Supported Metal Clusters
2009 Annual Meeting
(212e) SrTiO3 Based Anode Materials for Solid Oxide Fuel Cells: A Computational Attempt to Understanding and Improving Performance
2011 Annual Meeting
(384d) Efficient Methods for Finding Transition States in Chemical Reactions: Comparison of Improved Dimer Method and Partitioned Rational Function Optimization Method
2005 Annual Meeting
(629p) Theoretical Investigation of Hydrodeoxygenation of Methyl Propionate On Pd (111)
2011 Annual Meeting
(432a) A Conservative Algorithm For An On-The-Fly Change Of Resolution In Mixed Atomistic / Coarse-Grained Multiscale Simulations
2007 Annual Meeting
(442b) Hydrodeoxygenation Pathways and Selectivity Descriptors for the Conversion of Propanoic Acid to Alkanes Over Pd(111) Catalysts
2011 Annual Meeting
(284c) Development and Application of a Hybrid QM/MM Method for the Computational Investigation of Reactions At Metal/Water Interfaces
2011 Annual Meeting
(356a) Kinetic Modeling of Nitrous Oxide Decomposition on Fe-Zsm-5 Based on Parameters Obtained from a Comprehensive Dft Study
2005 Annual Meeting
(81b) Multiscale Modeling of the Water-Gas Shift Reaction At the Three Phase Boundary of Pt/TiO2 and Pt/CeO2 Catalysts
2011 Annual Meeting

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