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
Spin singlet formation in MgTi2O4: evidence of a helical dimerization pattern
Schmidt, M, Ratcliff, 2nd, W, Radaelli, P G, Refson, K, Harrison, N M, Cheong, S W
Published in Physical review letters (06.02.2004)
Published in Physical review letters (06.02.2004)
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Journal Article
Analytical Hartree-Fock gradients for periodic systems
Doll, K., Saunders, V. R., Harrison, N. M.
Published in International journal of quantum chemistry (2001)
Published in International journal of quantum chemistry (2001)
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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
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
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
Diffusion of Li-ions in rutile. An ab initio study
Koudriachova, Marina V., Harrison, Nicholas M., de Leeuw, Simon W.
Published in Solid state ionics (01.02.2003)
Published in Solid state ionics (01.02.2003)
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Journal Article
Open circuit voltage profile for Li-intercalation in rutile and anatase from first principles
Koudriachova, Marina V, Harrison, Nicholas M, de Leeuw, Simon W
Published in Solid state ionics (01.12.2002)
Published in Solid state ionics (01.12.2002)
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Journal Article
First principles predictions for intercalation behaviour
Koudriachova, Marina V., Harrison, Nicholas M., de Leeuw, Simon W.
Published in Solid state ionics (30.11.2004)
Published in Solid state ionics (30.11.2004)
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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
Identification of possible Lewis acid sites on the beta-AlF3(100) surface: an ab initio total energy study
Wander, Adrian, Bailey, Christine L, Searle, Barry G, Mukhopadhyay, Sanghamitra, Harrison, Nicholas M
Published in Physical chemistry chemical physics : PCCP (07.12.2005)
Published in Physical chemistry chemical physics : PCCP (07.12.2005)
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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
First-principles molecular dynamics simulation of water dissociation on TiO2 (110)
Lindan, P.J.D., Harrison, N.M., Holender, J.M., Gillan, M.J.
Published in Chemical physics letters (18.10.1996)
Published in Chemical physics letters (18.10.1996)
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Journal Article