검색결과 : 18건
| No. | Article |
|---|---|
| 1 |
Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics Raiteri P, Schuitemaker A, Gale JD Journal of Physical Chemistry B, 124(17), 3568, 2020 |
| 2 |
Wetting Properties of the CO2-Water-Calcite System via Molecular Simulations: Shape and Size Effects Silvestri A, Ataman E, Budi A, Stipp SLS, Gale JD, Raiteri P Langmuir, 35(50), 16669, 2019 |
| 3 |
Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation Demichelis R, Garcia NA, Raiteri P, Malini RI, Freeman CL, Harding JH, Gale JD Journal of Physical Chemistry B, 122(4), 1471, 2018 |
| 4 |
Resorcinol Crystallization from the Melt: A New Ambient Phase and New "Riddles" Zhu Q, Shtukenberg AG, Carter DJ, Yu TQ, Yang JX, Chen M, Raiteri P, Oganov AR, Pokroy B, Polishchuk I, Bygrave PJ, Day GM, Rohl AL, Tuckerman ME, Kahr B Journal of the American Chemical Society, 138(14), 4881, 2016 |
| 5 |
A Supramolecular Ice Growth Inhibitor Drori R, Li C, Hu CH, Raiteri P, Rohl AL, Ward MD, Kahr B Journal of the American Chemical Society, 138(40), 13396, 2016 |
| 6 |
Proton-Induced Reversible Modulation of the Luminescent Output of Rhenium(I), Iridium(III), and Ruthenium(II) Tetrazolate Complexes Werrett MV, Muzzioli S, Wright PJ, Palazzi A, Raiteri P, Zacchini S, Massi M, Stagni S Inorganic Chemistry, 53(1), 229, 2014 |
| 7 |
Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes Vaughan JG, Reid BL, Wright PJ, Ramchandani S, Skelton BW, Raiteri P, Muzzioli S, Brown DH, Stagni S, Massi M Inorganic Chemistry, 53(7), 3629, 2014 |
| 8 |
Structure of hydrated calcium carbonates: A first-principles study Demichelis R, Raiteri P, Gale JD Journal of Crystal Growth, 401, 33, 2014 |
| 9 |
Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions Wallace AF, Hedges LO, Fernandez-Martinez A, Raiteri P, Gale JD, Waychunas GA, Whitelam S, Banfield JF, De Yoreo JJ Science, 341(6148), 885, 2013 |
| 10 |
Accurate Rates of the Complex Mechanisms for Growth and Dissolution of Minerals Using a Combination of Rare-Event Theories Stack AG, Raiteri P, Gale JD Journal of the American Chemical Society, 134(1), 11, 2012 |