A Theoretical Investigation into the Comparative Adsorption Between Dissolved Oxygen and Oxygenate Species on Zeolite 3.7 Å During Aviation Fuel Treatment for Thermal Stability Improvement
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Modeling the liquid-phase oxidation of hydrocarbons over a range of temperatures and dissolved oxygen concentrations with pseudo-detailed chemical kinetics
Density Functional Theory Study on the Adsorption of H<sub>2</sub>S and Other Claus Process Tail Gas Components on Copper- and Silver-Exchanged Y Zeolites
Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem
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Effects of the Aluminum Content of a Zeolite Framework: A DFT/MM Hybrid Approach Based on Cluster Models Embedded in an Elastic Polarizable Environment
Consideration of the Aluminum Distribution in Zeolites in Theoretical and Experimental Catalysis Research
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