Nicola Gaston

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Krista G. SteenbergenVictoria University of WellingtonVerified email at vuw.ac.nz
Peter SchwerdtfegerDist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New ZealandVerified email at massey.ac.nz
Jonathan E. HalpertHong Kong University of Science & Technology (HKUSTVerified email at ust.hk
Justin HodgkissVictoria University of WellingtonVerified email at vuw.ac.nz
Jianbo TangLecturer and ARC DECRA Fellow at UNSWVerified email at unsw.edu.au
Mohammad Bagher GhasemianResearch Fellow at the School of Chemical and Biomolecular Engineering, The University of SydneyVerified email at sydney.edu.au
Jialuo HanCSIRO ManufacturingVerified email at csiro.au
Francois-Marie AlliouxUniversity of Sydney, School of Chemical and Biomolecular Engineering, Sydney, NSW, AustraliaVerified email at sydney.edu.au
Mohannad MayyasKing Fahd University of Petroleum and Minerals (KFUPM)Verified email at kfupm.edu.sa
Torben DaenekeProfessor, RMIT UniversityVerified email at rmit.edu.au
Kourosh Kalantar-ZadehHead School Chemical & Biomolecular Eng Sydney University, Adj Prof UNSW, H Prof RMITVerified email at sydney.edu.au
Parth VashishthaSenior Materials Research ScientistVerified email at qscis.com
Celina SikorskaThe University of AucklandVerified email at auckland.ac.nz
Ralf Tonner-ZechUniversität LeipzigVerified email at uni-leipzig.de
Dmitri SchebarchovDOT Loves DataVerified email at dotlovesdata.com
Andrew J. ChristoffersonRMIT UniversityVerified email at rmit.edu.au
Richard KanerUniversity of California, Los AngelesVerified email at chem.ucla.edu
Jiong YangShanghai UniversityVerified email at t.shu.edu.cn
Md. Arifur RahimSenior Lecturer and ARC Future Fellow, Monash UniversityVerified email at monash.edu
Salvy RussoProfessor of Applied Physics, School of Science , RMIT UniversityVerified email at rmit.edu.au

Nicola Gaston

The University of Auckland

Verified email at auckland.ac.nz - Homepage

Clusters Nanoparticles Condensed Matter Electronic Structure Theory


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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	322	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	156	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	127	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	92	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
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	78	2022
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
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	60	2013
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	55	2018
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
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	52	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	48	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	44	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	42	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	39	2010
Electronic effects on the melting of small gallium clusters KG Steenbergen, D Schebarchov, N Gaston The Journal of chemical physics 137 (14), 2012	38	2012
Hydrogen adsorption on model tungsten carbide surfaces N Gaston, S Hendy Catalysis Today 146 (1-2), 223-229, 2009	36	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

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