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Nicholas Harrison
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CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
R Dovesi, R Orlando, B Civalleri, C Roetti, VR Saunders, ...
Zeitschrift fŘr Kristallographie-Crystalline Materials 220 (5-6), 571-573, 2005
3108*2005
CRYSTAL14: A program for the ab initio investigation of crystalline solids
R Dovesi, R Orlando, A Erba, CM Zicovich‐Wilson, B Civalleri, S Casassa, ...
International Journal of Quantum Chemistry 114 (19), 1287-1317, 2014
2248*2014
CRYSTAL17 User’s Manual. 2017
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, 2017
1150*2017
On the prediction of band gaps from hybrid functional theory
J Muscat, A Wander, NM Harrison
Chemical Physics Letters 342 (3-4), 397-401, 2001
10142001
Computer Code CRYSTAL 98
VR Saunders, R Dovesi, C Roetti, M Causa, NM Harrison, R Orlando, ...
User’s Manual (University of Torino), Torino, 1998
913*1998
Electronic structure and magnetic properties of graphitic ribbons
L Pisani, JA Chan, B Montanari, NM Harrison
Physical Review B—Condensed Matter and Materials Physics 75 (6), 064418, 2007
7562007
First-principles calculations of the phase stability of TiO 2
J Muscat, V Swamy, NM Harrison
Physical Review B 65 (22), 224112, 2002
7012002
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 14, 2003
594*2003
Ab initio study of MnO and NiO
MD Towler, NL Allan, NM Harrison, VR Saunders, WC Mackrodt, E Apra
Physical Review B 50 (8), 5041, 1994
5561994
Stability of polar oxide surfaces
A Wander, F Schedin, P Steadman, A Norris, R McGrath, TS Turner, ...
Physical review letters 86 (17), 3811, 2001
5282001
The hardest known oxide
LS Dubrovinsky, NA Dubrovinskaia, V Swamy, J Muscat, NM Harrison, ...
Nature 410, 6829, 2001
4432001
Mixed dissociative and molecular adsorption of water on the rutile (110) surface
PJD Lindan, NM Harrison, MJ Gillan
Physical Review Letters 80 (4), 762, 1998
3881998
Analytical Hartree–Fock gradients for periodic systems
K Doll, VR Saunders, NM Harrison
International Journal of Quantum Chemistry 82 (1), 1-13, 2001
3142001
First-principles spin-polarized calculations on the reduced and reconstructed TiO 2 (110) surface
PJD Lindan, NM Harrison, MJ Gillan, JA White
Physical Review B 55 (23), 15919, 1997
2861997
Effect of diffusion on lithium intercalation in titanium dioxide
MV Koudriachova, NM Harrison, SW de Leeuw
Physical Review Letters 86 (7), 1275, 2001
2812001
Dynamics of single Fe atoms in graphene vacancies
AW Robertson, B Montanari, K He, J Kim, CS Allen, YA Wu, J Olivier, ...
Nano letters 13 (4), 1468-1475, 2013
2632013
Structural transformations in graphene studied with high spatial and temporal resolution
JH Warner, MH RŘmmeli, L Ge, T Gemming, B Montanari, NM Harrison, ...
Nature nanotechnology 4 (8), 500-504, 2009
2532009
Spin Singlet Formation in : Evidence of a Helical Dimerization Pattern
M Schmidt, W Ratcliff, PG Radaelli, K Refson, NM Harrison, SW Cheong
Physical review letters 92 (5), 056402, 2004
2452004
An ab initio study of ZnO (1010)
A Wander, NM Harrison
Surface Science 457 (1-2), L342-L346, 2000
2332000
Water chemistry on surface defect sites: Chemidissociation versus physisorption on MgO (001)
CA Scamehorn, NM Harrison, MI McCarthy
The Journal of chemical physics 101 (2), 1547-1554, 1994
2271994
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