DFT

Academic Journals

1. Alexandre Zanchet, Patricia López-Caballero, Alexander O. Mitrushchenkov, David Buceta, Manuel Arturo López-Quintela, Andreas W. Hauser, María Pilar de Lara-Castells. On the Stability of Cu5 Catalysts in Air Using Multireference Perturbation Theory. The Journal of Physical Chemistry C, 123(44):27064-27072, 2019. download
2. Jason Wu, Shaama Mallikarjun Sharada, Chris Ho, Andreas W. Hauser, Martin Head-Gordon, Alexis T. Bell. Ethane and propane dehydrogenation over PtIr/Mg(Al)O. Applied Catalysis A: General, 506:25-32, 2015. download

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