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Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66The interpretation of polycrystalline coherent inelastic neutron scattering from aluminium.Prediction of novel alloy phases of Al with Sc or Ta.Stable prenucleation mineral clusters are liquid-like ionic polymers.Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces.Atomistic theory and simulation of the morphology and structure of ionic nanoparticles.Calcium carbonate polyamorphism and its role in biomineralization: how many amorphous calcium carbonates are there?Pre-nucleation clusters as solute precursors in crystallisation.The controlled disassembly of mesostructured perovskites as an avenue to fabricating high performance nanohybrid catalysts.Theoretical and experimental investigations on the morphology of pharmaceutical crystals.Comparison of embedded atom method potentials for small aluminium cluster simulations.Understanding the barriers to crystal growth: dynamical simulation of the dissolution and growth of urea from aqueous solution.Oxygen spectroscopy and polarization-dependent imaging contrast (PIC)-mapping of calcium carbonate minerals and biominerals.Synthesis, structural, and photophysical investigation of diimine triscarbonyl Re(I) tetrazolato complexes.Development of accurate force fields for the simulation of biomineralization.Atomic scale modelling of the cores of dislocations in complex materials part 2: applications.Simulating micrometre-scale crystal growth from solution.Microscopic evidence for liquid-liquid separation in supersaturated CaCO3 solutions.The interaction of dolomite surfaces with metal impurities: a computer simulation study.Predicting crystal growth via a unified kinetic three-dimensional partition model.Entropy Drives Calcium Carbonate Ion Association.Uncovering the Atomistic Mechanism for Calcite Step Growth.A general forcefield for accurate phonon properties of metal-organic frameworks.Surface modification induced enhanced CO2 sorption in cucurbit[6]uril, an organic porous material.Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology.Reactive force field simulation of proton diffusion in BaZrO3 using an empirical valence bond approach.Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?Water is the key to nonclassical nucleation of amorphous calcium carbonate.Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)Predicting the structure of screw dislocations in nanoporous materialsThe SIESTA method forab initioorder-Nmaterials simulationA reactive force field for aqueous-calcium carbonate systemsAccurate Rates of the Complex Mechanisms for Growth and Dissolution of Minerals Using a Combination of Rare-Event TheoriesDefect interactions and ionic transport in scandia stabilized zirconiaSubsolidus phase relations in Ca2Mo2O8–NaEuMo2O8-powellite solid solution predicted from static lattice energy calculations and Monte Carlo simulationsMany-Body Potential for Point Defect Clusters in Fe-C AlloysAb Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)Assisted Desolvation as a Key Kinetic Step for Crystal GrowthSimulating the Dissolution and Growth of Zeolite Beta CA software tool for the topological and geometrical characterization of three-dimensional frameworks
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Julian D Gale
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Julian D Gale
@en
Julian D Gale
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Julian D Gale
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type
label
Julian D Gale
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Julian D Gale
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Julian D Gale
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Julian D Gale
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Julian David Gale
@en
prefLabel
Julian D Gale
@ast
Julian D Gale
@en
Julian D Gale
@es
Julian D Gale
@nl
P106
P1153
7101993408
P1960
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P21
P31
P496
0000-0001-9587-9457