A quantum mechanical study of water adsorption on the (110) surfaces of rutile SnO2 and TiO2: investigating the effects of intermolecular interactions using hybrid-exchange density functional theory
Patel, M, Sanches, F. F, Mallia, G, Harrison, N. M
Published in Physical chemistry chemical physics : PCCP (21.10.2014)
Published in Physical chemistry chemical physics : PCCP (21.10.2014)
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Journal Article
Materials science The hardest known oxide
Dubrovinsky, L. S, Dubrovinskaia, N. A, Swamy, V, Muscat, J, Harrison, N. M, Ahuja, R, Holm, B, Johansson, B
Published in Nature (London) (05.04.2001)
Published in Nature (London) (05.04.2001)
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Journal Article
The hardest known oxide
DUBROVINSKY, L. S, DUBROVINSKAIA, N. A, SWAMY, V, MUSCAT, J, HARRISON, N. M, AHUJA, R, HOLM, B, JOHANSSON, B
Published in Nature (London) (05.04.2001)
Published in Nature (London) (05.04.2001)
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Journal Article
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)]
Adamo, C, Barone, V, Bencini, A, Broer, R, Filatov, M, Harrison, N M, Illas, F, Malrieu, J P, Moreira, I de P R
Published in The Journal of chemical physics (14.03.2006)
Published in The Journal of chemical physics (14.03.2006)
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Journal Article
Stability of polar oxide surfaces
Wander, A, Schedin, F, Steadman, P, Norris, A, McGrath, R, Turner, T S, Thornton, G, Harrison, N M
Published in Physical review letters (23.04.2001)
Published in Physical review letters (23.04.2001)
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Journal Article
A density functional study of lithium bulk and surfaces
Doll, K, Harrison, N M, Saunders, V R
Published in Journal of physics. Condensed matter (05.07.1999)
Published in Journal of physics. Condensed matter (05.07.1999)
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Journal Article
Aluminum Chloride as a Solid Is Not a Strong Lewis Acid
Murthy, J. Krishna, Gross, Udo, Rüdiger, Stephan, Rao, V. Venkat, Kumar, V. Vijaya, Wander, A, Bailey, C. L, Harrison, N. M, Kemnitz, Erhard
Published in The journal of physical chemistry. B (27.04.2006)
Published in The journal of physical chemistry. B (27.04.2006)
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Journal Article
Structure and interactions at the Mg(0001)/water interface: An ab initio study
Fogarty, R. M., Li, B. X., Harrison, N. M., Horsfield, A. P.
Published in The Journal of chemical physics (28.06.2022)
Published in The Journal of chemical physics (28.06.2022)
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Journal Article
Adsorption of HF and HCl on the β-AlF3 (100) surface
BAILEY, C. L, WANDER, A, MUKHOPADHYAY, S, SEARLE, B. G, HARRISON, N. M
Published in Physical chemistry chemical physics : PCCP (01.01.2008)
Published in Physical chemistry chemical physics : PCCP (01.01.2008)
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Journal Article
Composition and Structure of the α-AlF3(0001) Surface
Wander, A, Searle, B. G, Bailey, C. L, Harrison, N. M
Published in The journal of physical chemistry. B (08.12.2005)
Published in The journal of physical chemistry. B (08.12.2005)
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Journal Article
The group III–V's semiconductor energy gaps predicted using the B3LYP hybrid functional
Tomić, S., Montanari, B., Harrison, N.M.
Published in Physica. E, Low-dimensional systems & nanostructures (01.04.2008)
Published in Physica. E, Low-dimensional systems & nanostructures (01.04.2008)
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Journal Article
Conference Proceeding
Corrosion inhibition of carbon steel in hydrochloric acid: Elucidating the performance of an imidazoline-based surfactant
Kousar, K., Walczak, M.S., Ljungdahl, T., Wetzel, A., Oskarsson, H., Restuccia, P., Ahmad, E.A., Harrison, N.M., Lindsay, R.
Published in Corrosion science (01.03.2021)
Published in Corrosion science (01.03.2021)
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Journal Article
A finite element methodology for wear–fatigue analysis for modular hip implants
Zhang, T., Harrison, N.M., McDonnell, P.F., McHugh, P.E., Leen, S.B.
Published in Tribology international (01.09.2013)
Published in Tribology international (01.09.2013)
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