Surface dissociation from first principles: Dynamics and chemistry.
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Biomedical subjects
LJ Clarke
Publications and source records attributed to LJ Clarke.
Dynamics of dissociative chemisorption: Cl2/Si(111)-(2 x 1).
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First principles calculation of the structure and energy of Si(113).
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Defect energetics in MgO treated by first-principles methods.
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Atomic and electronic structures of the 90 degrees partial dislocation in silicon.
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Defect energetics in oxide materials from first principles.
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Ab initio total-energy calculations for extremely large systems: Application to the Takayanagi reconstruction of Si(111).
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