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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
3054*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
2007*2014
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
9722001
CRYSTAL17 User’s Manual. 2017
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, 2017
961*2017
CRYSTAL14 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 382, 2014
9522014
CRYSTAL14 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 382, 2014
9502014
Computer Code CRYSTAL 98
VR Saunders, R Dovesi, C Roetti, M Causa, NM Harrison, R Orlando, ...
User’s Manual (University of Torino), Torino, 1998
905*1998
Electronic structure and magnetic properties of graphitic ribbons
L Pisani, JA Chan, B Montanari, NM Harrison
Physical Review B 75 (6), 064418, 2007
7052007
First-principles calculations of the phase stability of TiO 2
J Muscat, V Swamy, NM Harrison
Physical Review B 65 (22), 224112, 2002
6872002
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 14, 2003
580*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
5151994
Stability of polar oxide surfaces
A Wander, F Schedin, P Steadman, A Norris, R McGrath, TS Turner, ...
Physical review letters 86 (17), 3811, 2001
4972001
The hardest known oxide
LS Dubrovinsky, NA Dubrovinskaia, V Swamy, J Muscat, NM Harrison, ...
Nature 410, 6829, 2001
4312001
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
3821998
Analytical Hartree–Fock gradients for periodic systems
K Doll, VR Saunders, NM Harrison
International Journal of Quantum Chemistry 82 (1), 1-13, 2001
2912001
CRYSTAL09 User’s Manual, 2009
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
There is no corresponding record for this reference, 0
291*
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
2771997
Effect of diffusion on lithium intercalation in titanium dioxide
MV Koudriachova, NM Harrison, SW de Leeuw
Physical review letters 86 (7), 1275, 2001
2682001
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
2472009
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
2442013
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