Krista G. Steenbergen
TitleCited byYear
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
272013
Electronic effects on the melting of small gallium clusters
KG Steenbergen, D Schebarchov, N Gaston
The Journal of chemical physics 137 (14), 144307, 2012
252012
Method of increments for the halogen molecular crystals: Cl, Br, and I
KG Steenbergen, N Gaston, C Müller, B Paulus
The Journal of chemical physics 141 (12), 124707, 2014
152014
Dense or Porous Packing? Two‐Dimensional Self‐Assembly of Star‐Shaped Mono‐, Bi‐, and Terpyridine Derivatives
D Trawny, P Schlexer, K Steenbergen, JP Rabe, B Paulus, HU Reissig
ChemPhysChem 16 (5), 949-953, 2015
112015
Geometrically induced melting variation in gallium clusters from first principles
KG Steenbergen, N Gaston
Physical Review B 88 (16), 161402(R), 2013
112013
A Two-Dimensional Liquid Structure Explains the Elevated Melting Temperatures of Gallium Nanoclusters
KG Steenbergen, N Gaston
Nano Letters 16 (1), 21–26, 2016
102016
Quantum Size Effects in the Size–Temperature Phase Diagram of Gallium: Structural Characterization of Shape‐Shifting Clusters
KG Steenbergen, N Gaston
Chemistry–A European Journal 21 (7), 2862-2869, 2015
102015
Relativistic coupled-cluster and density-functional studies of argon at high pressure
P Schwerdtfeger, KG Steenbergen, E Pahl
Physical Review B 95 (21), 214116, 2017
82017
First-principles calculations of electronic and optical properties of LiCaAlF6 and LiSrAlF6 crystals as VUV to UV solid-state laser materials
MV Luong, MJF Empizo, M Cadatal-Raduban, R Arita, Y Minami, ...
Optical Materials 65, 15-20, 2017
82017
How a single aluminum atom makes a difference to gallium: First-principles simulations of bimetallic cluster melting
U Ojha, KG Steenbergen, N Gaston
The Journal of chemical physics 139 (9), 094309, 2013
82013
Two worlds collide: Image analysis methods for quantifying structural variation in cluster molecular dynamics
KG Steenbergen, N Gaston
The Journal of chemical physics 140 (6), 064102, 2014
72014
High pressure band gap modification of LiCaAlF6
T Shimizu, MV Luong, M Cadatal-Raduban, MJF Empizo, K Yamanoi, ...
Applied Physics Letters 110 (14), 141902, 2017
62017
Al 20+ does melt, albeit above the bulk melting temperature of aluminium
U Ojha, KG Steenbergen, N Gaston
Physical Chemistry Chemical Physics 17 (5), 3741-3748, 2015
62015
Tunability of gas-expanded liquids under confinement: Phase equilibrium and transport properties of ethylene-expanded methanol in mesoporous silica
KG Steenbergen, JL Kern, Z Wang, WH Thompson, BB Laird
The Journal of Physical Chemistry C 120 (9), 5010-5019, 2016
52016
The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory
KG Steenbergen, JM Mewes, LF Pašteka, HW Gäggeler, G Kresse, E Pahl, ...
Physical Chemistry Chemical Physics 19 (48), 32286-32295, 2017
42017
Accurate, large-scale density functional melting of Hg: Relativistic effects decrease melting temperature by 160 K
KG Steenbergen, E Pahl, P Schwerdtfeger
The journal of physical chemistry letters 8 (7), 1407-1412, 2017
32017
Theoretical investigation of the crystal structure of AlOF
JH Budau, B Paulus, KG Steenbergen
Chemical Physics 491, 112-117, 2017
12017
Modelling the Melting of Gallium Clusters: A Path to Understanding Molecular Solids
KG Steenbergen
Victoria University of Wellington, 2013
12013
Thickness dependent thermal stability of 2D gallenene.
KG Steenbergen, N Gaston
Chemical communications (Cambridge, England), 2019
2019
The thermal stability of a 2D metal: Structures and stability of gallenene
KG Steenbergen, N Gaston
Chemical Communications, 2019
2019
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Articles 1–20