Simulation of phenol formation from benzene with a Pd membrane reactor: ab initio periodic density functional study
Author:
Publisher
Elsevier BV
Subject
Process Chemistry and Technology,Catalysis
Reference24 articles.
1. A One-Step Conversion of Benzene to Phenol with a Palladium Membrane
2. An all‐electron numerical method for solving the local density functional for polyatomic molecules
3. Fast Calculation of Electrostatics in Crystals and Large Molecules
4. From molecules to solids with the DMol3 approach
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