Quantum Chemical Molecular Dynamics Study of the Water–Gas Shift Reaction on a Pd/MgO(100) Catalyst Surface

Farouq Ahmed, Ryuji Miura, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto and Dennis R. Salahub

The Journal of Physical Chemistry C

DOI: 10.1021/jp310946x

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