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Gale, Julian D.
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1

Redefined ion association constants have consequences for c..:

McDonogh, David P. ; Gale, Julian D. ; Raiteri, Paolo.
Nature Communications.  15 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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2

New model for aspartic acid species in aqueous calcium carb..:

Schuitemaker, Alicia ; Koziara, Katarzyna B. ; Raiteri, Paolo..
Physical Chemistry Chemical Physics.  26 (2024)  6 - p. 4909-4921 , 2024
Link: https://doi.org/10.1039/..
 
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3

CrystalClear: an open, modular protocol for predicting mole..:

Spackman, Peter R. ; Walisinghe, Alvin J. ; Anderson, Michael W..
Chemical Science.  14 (2023)  26 - p. 7192-7207 , 2023
Link: https://doi.org/10.1039/..
 
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4

Computational workflows for perovskites: case study for lan..:

Kraus, Peter ; Raiteri, Paolo ; Gale, Julian D.
Physical Chemistry Chemical Physics.  25 (2023)  21 - p. 14799-14811 , 2023
Link: https://doi.org/10.1039/..
 
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5

Quasi-static deformation simulations of molecular crystals:

Hamad, Mustafa S. ; Boissier, Catherine ; Calo, Victor M....
CrystEngComm.  25 (2023)  7 - p. 1159-1174 , 2023
Link: https://doi.org/10.1039/..
 
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6

Determining the Complete Stability of Calcite Kink Sites: R..:

Armstrong, Blake I. ; Silvestri, Alessandro ; De La Pierre, Marco..
The Journal of Physical Chemistry C.  127 (2023)  28 - p. 13958-13968 , 2023
Link: https://doi.org/10.1021/..
 
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7

Computational Insights into Mg2+ Dehydration in the Presenc..:

Aufort, Julie ; Raiteri, Paolo ; Gale, Julian D.
ACS Earth and Space Chemistry.  6 (2022)  3 - p. 733-745 , 2022
Link: https://doi.org/10.1021/..
 
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8

Obtaining Consistent Free Energies for Ion Binding at Surfa..:

Silvestri, Alessandro ; Raiteri, Paolo ; Gale, Julian D.
Journal of Chemical Theory and Computation.  18 (2022)  10 - p. 5901-5919 , 2022
Link: https://doi.org/10.1021/..
 
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9

Crystal Nucleation and Growth of Inorganic Ionic Materials ..:

Gebauer, Denis ; Gale, Julian D. ; Cölfen, Helmut
Small.  18 (2022)  28 - p. , 2022
Link: https://doi.org/10.1002/..
 
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10

Determining the Adsorption Free Energies of Small Organic M..:

Aufort, Julie ; Schuitemaker, Alicia ; Green, Rebecca...
Crystal Growth & Design.  22 (2022)  2 - p. 1445-1458 , 2022
Link: https://doi.org/10.1021/..
 
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11

Calculations of the Evolution of the Ca L23 Fine Structure ..:

Kahil, Keren ; Raiteri, Paolo ; Gale, Julian D..
The Journal of Physical Chemistry B.  126 (2022)  27 - p. 5103-5109 , 2022
Link: https://doi.org/10.1021/..
 
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12

Monitoring the Dissolution and Hydrolysis of Pyrosulfate by..:

G. Henares, Terence ; Gale, Julian D. ; Herzog, Grégoire.
ChemElectroChem.  9 (2022)  23 - p. , 2022
Link: https://doi.org/10.1002/..
 
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13

Aufdeckung der Rolle von Hydrogencarbonat‐Ionen bei der Bil..:

Huang, Yu‐Chieh ; Rao, Ashit ; Huang, Shing‐Jong...
Angewandte Chemie.  133 (2021)  30 - p. 16843-16850 , 2021
Link: https://doi.org/10.1002/..
 
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14

CrystalGrower: a generic computer program for Monte Carlo m..:

Hill, Adam R. ; Cubillas, Pablo ; Gebbie-Rayet, James T....
Chemical Science.  12 (2021)  3 - p. 1126-1146 , 2021
Link: https://doi.org/10.1039/..
 
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15

Structure and Surface Complexation at the Calcite(104)–Wate..:

Heberling, Frank ; Klačić, Tin ; Raiteri, Paolo...
Environmental Science & Technology.  55 (2021)  18 - p. 12403-12413 , 2021
Link: https://doi.org/10.1021/..
 
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