Nicholas Harrison
Title
Cited by
Cited by
Year
CRYSTAL09 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 6, 2009
20472009
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
1322*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
1294*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
9002001
Computer Code CRYSTAL 98
VR Saunders, R Dovesi, C Roetti, M Causa, NM Harrison, R Orlando, ...
User’s Manual (University of Torino), Torino, 1998
862*1998
CRYSTAL17
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
Gruppo di Chimica Teorica, Dipartimento di Chimica, 2017
6842017
CRYSTAL17
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
Gruppo di Chimica Teorica, Dipartimento di Chimica, 2017
6822017
Electronic structure and magnetic properties of graphitic ribbons
L Pisani, JA Chan, B Montanari, NM Harrison
Physical Review B 75 (6), 064418, 2007
6452007
First-principles calculations of the phase stability of TiO 2
J Muscat, V Swamy, NM Harrison
Physical Review B 65 (22), 224112, 2002
5962002
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 14, 2003
560*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
4671994
Stability of polar oxide surfaces
A Wander, F Schedin, P Steadman, A Norris, R McGrath, TS Turner, ...
Physical review letters 86 (17), 3811, 2001
4612001
The hardest known oxide
LS Dubrovinsky, NA Dubrovinskaia, V Swamy, J Muscat, NM Harrison, ...
Nature 410, 6829, 2001
3912001
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
3581998
Analytical Hartree–Fock gradients for periodic systems
K Doll, VR Saunders, NM Harrison
International Journal of Quantum Chemistry 82 (1), 1-13, 2001
2692001
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
2571997
Effect of diffusion on lithium intercalation in titanium dioxide
MV Koudriachova, NM Harrison, SW de Leeuw
Physical review letters 86 (7), 1275, 2001
2412001
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
2152009
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
2021994
First-principles molecular dynamics simulation of water dissociation on TiO2 (110)
PJD Lindan, NM Harrison, JM Holender, MJ Gillan
Chemical Physics Letters 261 (3), 246-252, 1996
2011996
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