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- [24] Kinetic Monte Carlo study of vinyl acetate synthesis from gas-phase ethylene acetoxylation on Pd(100) and Pd/Au(100) from density functional theory based calculations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
- [28] Comparative Kinetic Monte Carlo Study of Acetic Acid Decomposition to Surface Carbon Species and Undesirable Byproducts on Pd(100) and Pd/Au(100) from Density Functional Theory-Based Calculations JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 121 (48): : 26733 - 26741