| The Evolution of Quantum Confinement in CsPbBr3 Perovskite Nanocrystals J Butkus, P Vashishtha, K Chen, JK Gallaher, SKK Prasad, DZ Metin, ... Chemistry of Materials 29 (8), 3644-3652, 2017 | 304 | 2017 |
| Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions P Schwerdtfeger, N Gaston, RP Krawczyk, R Tonner, GE Moyano Physical Review B 73 (6), 064112, 2006 | 155 | 2006 |
| Unique surface patterns emerging during solidification of liquid metal alloys J Tang, S Lambie, N Meftahi, AJ Christofferson, J Yang, MB Ghasemian, ... Nature nanotechnology 16 (4), 431-439, 2021 | 119 | 2021 |
| Convergence of the ab initio many-body expansion for the cohesive energy of solid mercury B Paulus, K Rosciszewski, N Gaston, P Schwerdtfeger, H Stoll Physical Review B 70 (16), 165106, 2004 | 91 | 2004 |
| Is eka-mercury (element 112) a group 12 metal? N Gaston, I Opahle, H Gäggeler, P Schwerdtfeger Angewandte Chemie (Internationale Edition) 46 (10), 1663-1666, 2007 | 79 | 2007 |
| Lattice structure of mercury: Influence of electronic correlation N Gaston, B Paulus, K Rosciszewski, P Schwerdtfeger, H Stoll Physical Review B 74 (9), 094102, 2006 | 77 | 2006 |
| Liquid metal synthesis solvents for metallic crystals SA Idrus-Saidi, J Tang, S Lambie, J Han, M Mayyas, MB Ghasemian, ... Science 378 (6624), 1118-1124, 2022 | 69 | 2022 |
| From the van der Waals dimer to the solid state of mercury with relativistic ab initio and density functional theory N Gaston, P Schwerdtfeger Physical Review B 74 (2), 024105, 2006 | 64 | 2006 |
| Interaction of pyridine derivatives with a gold (111) surface as a model for adsorption to large nanoparticles D Mollenhauer, N Gaston, E Voloshina, B Paulus The Journal of Physical Chemistry C 117 (9), 4470-4479, 2013 | 58 | 2013 |
| Embedding procedure for ab initio correlation calculations in group II metals E Voloshina, N Gaston, B Paulus The Journal of chemical physics 126, 134115, 2007 | 55 | 2007 |
| Building machine learning force fields for nanoclusters C Zeni, K Rossi, A Glielmo, Á Fekete, N Gaston, F Baletto, A De Vita The Journal of chemical physics 148 (24), 2018 | 54 | 2018 |
| Synthesis and comparison of the magnetic properties of iron sulfide spinel and iron oxide spinel nanocrystals JHL Beal, S Prabakar, N Gaston, GB Teh, PG Etchegoin, G Williams, ... Chemistry of Materials 23 (10), 2514-2517, 2011 | 53 | 2011 |
| C–Cl bond activation on Au/Pd bimetallic nanocatalysts studied by density functional theory and genetic algorithm calculations B Boekfa, E Pahl, N Gaston, H Sakurai, J Limtrakul, M Ehara The Journal of Physical Chemistry C 118 (38), 22188-22196, 2014 | 50 | 2014 |
| First-principles melting of gallium clusters down to nine atoms: structural and electronic contributions to melting KG Steenbergen, N Gaston Physical Chemistry Chemical Physics 15 (37), 15325-15332, 2013 | 46 | 2013 |
| Multiple Minima on the Energy Landscape of Elemental Zinc: A Wave Function Based Ab Initio Study N Gaston, B Paulus, U Wedig, M Jansen Physical review letters 100 (22), 226404, 2008 | 43 | 2008 |
| Shape-, size-, and composition-controlled thallium lead halide perovskite nanowires and nanocrystals with tunable band gaps P Vashishtha, DZ Metin, ME Cryer, K Chen, JM Hodgkiss, N Gaston, ... Chemistry of Materials 30 (9), 2973-2982, 2018 | 41 | 2018 |
| On the bonding of Ga2, structures of Gan clusters and the relation to the bulk structure of gallium N Gaston, AJ Parker Chemical Physics Letters, 2010 | 38 | 2010 |
| Electronic effects on the melting of small gallium clusters KG Steenbergen, D Schebarchov, N Gaston The Journal of chemical physics 137 (14), 2012 | 37 | 2012 |
| Hydrogen adsorption on model tungsten carbide surfaces N Gaston, S Hendy Catalysis Today 146 (1-2), 223-229, 2009 | 34 | 2009 |
| A balanced procedure for the treatment of cluster–ligand interactions on gold phosphine systems in catalysis D Mollenhauer, N Gaston Journal of Computational Chemistry 35 (13), 986-997, 2014 | 33 | 2014 |
Krista G. SteenbergenVictoria University of Wellington在 vuw.ac.nz 的电子邮件经过验证
