De Vita A

Defect energetics in oxide materials from first principles.

Lin, Clarke, Payne, 1992, Physical review letters.

Defect energetics in MgO treated by first-principles methods.

Lin, Clarke, Payne, 1992, Physical review. B, Condensed matter.

Mechanism of tritium diffusion in lithium oxide.

Heine, Shah, Payne, 1996, Physical review. B, Condensed matter.

Surface dissociation from first principles: Dynamics and chemistry.

Clarke, Payne, Stich, 1994, Physical review. B, Condensed matter.

Dynamics of dissociative chemisorption: Cl2/Si(111)-(2 x 1).

Clarke, Payne, Stich, 1993, Physical review letters.