دنبال کردن
Nicholas Harrison
عنوان
نقل شده توسط
نقل شده توسط
سال
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
3130*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
2305*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
10512001
Computer Code CRYSTAL 98‏
VR Saunders, R Dovesi, C Roetti, M Causa, NM Harrison, R Orlando, ...‏
User’s Manual (University of Torino), Torino, 1998‏
925*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
7712007
First-principles calculations of the phase stability of TiO 2‏
J Muscat, V Swamy, NM Harrison‏
Physical Review B 65 (22), 224112, 2002‏
7522002
CRYSTAL2003 user’s manual‏
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...‏
University of Torino, Torino 14, 2003‏
592*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
5731994
Stability of polar oxide surfaces‏
A Wander, F Schedin, P Steadman, A Norris, R McGrath, TS Turner, ...‏
Physical review letters 86 (17), 3811, 2001‏
5362001
The hardest known oxide‏
LS Dubrovinsky, NA Dubrovinskaia, V Swamy, J Muscat, NM Harrison, ...‏
Nature 410, 6829, 2001‏
4542001
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
4061998
Analytical Hartree–Fock gradients for periodic systems‏
K Doll, VR Saunders, NM Harrison‏
International Journal of Quantum Chemistry 82 (1), 1-13, 2001‏
3192001
Effect of diffusion on lithium intercalation in titanium dioxide‏
MV Koudriachova, NM Harrison, SW de Leeuw‏
Physical Review Letters 86 (7), 1275, 2001‏
2872001
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
2871997
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
2672013
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
2572009
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
2482004
An ab initio study of ZnO (1010)‏
A Wander, NM Harrison‏
Surface Science 457 (1-2), L342-L346, 2000‏
2402000
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
2261994
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
2151996
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20