Publications

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A first principles study of CH3 dehydrogenation on Ni(111)

A Michaelides, P Hu

– The Journal of Chemical Physics

(2000)

112,

8120

(doi: 10.1063/1.481412)

A density functional theory study of CH2 and H adsorption on Ni(111)

A Michaelides, P Hu

– Journal of Chemical Physics

(2000)

112,

6006

(doi: 10.1063/1.481173)

Methyl chemisorption on Ni(111) and CHM multicentre bonding: a density functional theory study

A Michaelides, P Hu

– Surface Science

(1999)

437,

362

Physical origin of the high reactivity of subsurface hydrogen in catalytic hydrogenation

A Michaelides, P Hu, A Alavi

– The Journal of Chemical Physics

(1999)

111,

1343

(doi: 10.1063/1.479392)