Artykuły udostępnione publicznie: - Professor Paolo Raiteri, PhDWięcej informacji
Niedostępne w żadnym miejscu: 16
Water is the key to nonclassical nucleation of amorphous calcium carbonate
P Raiteri, JD Gale
Journal of the American Chemical Society 132 (49), 17623-17634, 2010
Upoważnienia: US National Institutes of Health
Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite− Water Interface
P Raiteri, JD Gale, D Quigley, PM Rodger
The Journal of Physical Chemistry C 114 (13), 5997-6010, 2010
Upoważnienia: US National Institutes of Health
Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data
P Fenter, S Kerisit, P Raiteri, JD Gale
The Journal of Physical Chemistry C 117 (10), 5028-5042, 2013
Upoważnienia: US National Institutes of Health, Australian Research Council
The multiple structures of vaterite
R Demichelis, P Raiteri, JD Gale, R Dovesi
Crystal Growth & Design 13 (6), 2247-2251, 2013
Upoważnienia: US National Institutes of Health, Australian Research Council
A computational investigation into the suitability of purely siliceous zeolites as reverse osmosis membranes
ZE Hughes, LA Carrington, P Raiteri, JD Gale
The Journal of Physical Chemistry C 115 (10), 4063-4075, 2011
Upoważnienia: US National Institutes of Health
Computational Insight into Calcium–Sulfate Ion Pair Formation
EH Byrne, P Raiteri, JD Gale
The Journal of Physical Chemistry C 121 (46), 25956-25966, 2017
Upoważnienia: Australian Research Council
The Use of Anisotropic Potentials in Modeling Water and Free Energies of Hydration
PG Karamertzanis, P Raiteri, A Galindo
Journal of Chemical Theory and Computation 6 (5), 1590-1607, 2010
Upoważnienia: US National Institutes of Health
Examining the Accuracy of Density Functional Theory for Predicting the Thermodynamics of Water Incorporation into Minerals: The Hydrates of Calcium Carbonate
R Demichelis, P Raiteri, JD Gale, R Dovesi
The Journal of Physical Chemistry C 117 (34), 17814-17823, 2013
Upoważnienia: Australian Research Council
Investigating the Polymorphism in PR179: a Combined Crystal Structure Prediction and Metadynamics Study
T Zykova-Timan, P Raiteri, M Parrinello
The Journal of Physical Chemistry B 112 (42), 13231-13237, 2008
Upoważnienia: Swiss National Science Foundation
Structure and Surface Complexation at the Calcite (104)–Water Interface
F Heberling, T Klačić, P Raiteri, JD Gale, PJ Eng, JE Stubbs, T Gil-Díaz, ...
Environmental Science & Technology 55 (18), 12403-12413, 2021
Upoważnienia: US National Science Foundation, US Department of Energy, Australian Research …
A Quantum Mechanically Derived Force Field To Predict CO2 Adsorption on Calcite {10.4} in an Aqueous Environment
A Silvestri, A Budi, E Ataman, MHM Olsson, MP Andersson, SLS Stipp, ...
The Journal of Physical Chemistry C 121 (43), 24025-24035, 2017
Upoważnienia: Australian Research Council
Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site Stability
A Silvestri, P Raiteri, JD Gale
Journal of Chemical Theory and Computation 18 (10), 5901-5919, 2022
Upoważnienia: Australian Research Council
Self-Assembling of Zinc Phthalocyanines on ZnO (101̅0) Surface through Multiple Time Scales
C Melis, P Raiteri, L Colombo, A Mattoni
ACS nano 5 (12), 9639-9647, 2011
Upoważnienia: US National Institutes of Health
Timoshenko Bending and Eshelby Twisting Predicted in Molecular Nanocrystals
C Li, AG Shtukenberg, DJ Carter, X Cui, I Olson, AL Rohl, JD Gale, ...
The Journal of Physical Chemistry C 122 (43), 25085-25091, 2018
Upoważnienia: US National Science Foundation
New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectives
A Schuitemaker, KB Koziara, P Raiteri, JD Gale, R Demichelis
Physical Chemistry Chemical Physics 26 (6), 4909-4921, 2024
Upoważnienia: Australian Research Council
Atomistic insight into the interaction of aspartic acid species with calcium carbonate: Model development.
R Demichelis, BI Armstrong, P Raiteri, J Gale
Faraday Discussions, 2024
Upoważnienia: Australian Research Council
Dostępne w jakimś miejscu: 69
Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions
AF Wallace, LO Hedges, A Fernandez-Martinez, P Raiteri, JD Gale, ...
Science 341 (6148), 885-889, 2013
Upoważnienia: Australian Research Council
Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation
P Raiteri, R Demichelis, JD Gale
The Journal of Physical Chemistry C 119 (43), 24447-24458, 2015
Upoważnienia: Australian Research Council
On classical and non-classical views on nucleation
D Gebauer, P Raiteri, JD Gale, H Cölfen
American Journal of Science 318 (9), 969-988, 2018
Upoważnienia: Australian Research Council
A reactive force field for aqueous-calcium carbonate systems
JD Gale, P Raiteri, ACT van Duin
Physical Chemistry Chemical Physics 13 (37), 16666-16679, 2011
Upoważnienia: US National Institutes of Health
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