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Publications by N. M. Harrison

Reactivity of the Β-AlF3(100) Surface: Defects, Fluorine Mobility and Catalysis of the CCl2F2 Dismutation Reaction

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2010English

Periodic Quantum Mechanical Simulation of the He–MgO(100) Interaction Potential

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Materials Science: The Hardest Known Oxide

Nature
Multidisciplinary
2001English

Stability of Polar Oxide Surfaces

Physical Review Letters
AstronomyPhysics
2001English

Comment on “About the Calculation of Exchange Coupling Constants Using Density-Functional Theory: The Role of the Self-Interaction Error” [J. Chem. Phys. 123, 164110 (2005)]

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2006English

The Influence of Soft Vibrational Modes on Our Understanding of Oxide Surface Structure

Faraday Discussions
Theoretical ChemistryPhysical
1999English

Electronic Structure ofCaCuO2from the B3LYP Hybrid Density Functional

Physical Review B
2004English

Electronic and Magnetic Structure ofLaMnO3from Hybrid Periodic Density-Functional Theory

Physical Review B
2004English

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