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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 für Kristallographie-Crystalline Materials 220 (5-6), 571-573, 2005
3042*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
1960*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
9632001
CRYSTAL17 User’s Manual. 2017
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, 2017
929*2017
CRYSTAL14 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 382, 2014
9212014
CRYSTAL14 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 382, 2014
9192014
Computer Code CRYSTAL 98
VR Saunders, R Dovesi, C Roetti, M Causa, NM Harrison, R Orlando, ...
User’s Manual (University of Torino), Torino, 1998
902*1998
Electronic structure and magnetic properties of graphitic ribbons
L Pisani, JA Chan, B Montanari, NM Harrison
Physical Review B 75 (6), 064418, 2007
6932007
First-principles calculations of the phase stability of TiO 2
J Muscat, V Swamy, NM Harrison
Physical Review B 65 (22), 224112, 2002
6672002
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 14, 2003
578*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
5071994
Stability of polar oxide surfaces
A Wander, F Schedin, P Steadman, A Norris, R McGrath, TS Turner, ...
Physical review letters 86 (17), 3811, 2001
4922001
The hardest known oxide
LS Dubrovinsky, NA Dubrovinskaia, V Swamy, J Muscat, NM Harrison, ...
Nature 410, 6829, 2001
4242001
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
3761998
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
290*
Analytical Hartree–Fock gradients for periodic systems
K Doll, VR Saunders, NM Harrison
International Journal of Quantum Chemistry 82 (1), 1-13, 2001
2852001
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
2741997
Effect of diffusion on lithium intercalation in titanium dioxide
MV Koudriachova, NM Harrison, SW de Leeuw
Physical review letters 86 (7), 1275, 2001
2662001
Structural transformations in graphene studied with high spatial and temporal resolution
JH Warner, MH Rümmeli, L Ge, T Gemming, B Montanari, NM Harrison, ...
Nature nanotechnology 4 (8), 500-504, 2009
2432009
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
2322013
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