Reactivity of the calcite–water-interface, from molecular scale processes to geochemical engineering F Heberling, D Bosbach, JD Eckhardt, U Fischer, J Glowacky, M Haist, ... Applied geochemistry 45, 158-190, 2014 | 124 | 2014 |
Solid–aqueous equilibrium in the BaSO4–RaSO4–H2O system: first-principles calculations and a thermodynamic assessment VL Vinograd, F Brandt, K Rozov, M Klinkenberg, K Refson, B Winkler, ... Geochimica et Cosmochimica Acta 122, 398-417, 2013 | 69 | 2013 |
Thermodynamic properties of MgSiO3 majorite and phase transitions near 660 km depth in MgSiO3 and Mg2SiO4: A first principles study YG Yu, RM Wentzcovitch, VL Vinograd, RJ Angel Journal of Geophysical Research: Solid Earth 116 (B2), 2011 | 69 | 2011 |
Ab initio calculation of excess properties of La1− x (Ln, An) xPO4 solid solutions Y Li, PM Kowalski, A Blanca-Romero, V Vinograd, D Bosbach Journal of solid state chemistry 220, 137-141, 2014 | 65 | 2014 |
Thermodynamics of the solid solution-Aqueous solution system (Ba, Sr, Ra) SO4+ H2O: I. The effect of strontium content on radium uptake by barite VL Vinograd, DA Kulik, F Brandt, M Klinkenberg, J Weber, B Winkler, ... Applied geochemistry 89, 59-74, 2018 | 64 | 2018 |
A thermodynamic adsorption/entrapment model for selenium (IV) coprecipitation with calcite F Heberling, VL Vinograd, R Polly, JD Gale, S Heck, J Rothe, D Bosbach, ... Geochimica et Cosmochimica Acta 134, 16-38, 2014 | 60 | 2014 |
Using Ab Initio Calculations in the Calphad Environment BP Burton, N Dupin, SG Fries, G Grimvall, A Fernández Guillermet, ... International Journal of Materials Research 92 (6), 514-525, 2022 | 58 | 2022 |
(Ca, Sr) CO3 aqueous–solid solution systems: From atomistic simulations to thermodynamic modelling DA Kulik, VL Vinograd, N Paulsen, B Winkler Physics and Chemistry of the Earth, Parts A/B/C 35 (6-8), 217-232, 2010 | 52 | 2010 |
Heat capacities of lanthanide and actinide monazite-type ceramics PM Kowalski, G Beridze, VL Vinograd, D Bosbach Journal of nuclear materials 464, 147-154, 2015 | 48 | 2015 |
Thermodynamics of mixing in pyrope-grossular, Mg3Al2Si3O12-Ca3Al2Si3O12, solid solution from lattice dynamics calculations and Monte Carlo simulations VL Vinograd, MHF Sluiter American Mineralogist 91 (11-12), 1815-1830, 2006 | 46 | 2006 |
Zr-containing layered double hydroxides: Synthesis, characterization, and evaluation of thermodynamic properties J Poonoosamy, F Brandt, M Stekiel, P Kegler, M Klinkenberg, B Winkler, ... Applied clay science 151, 54-65, 2018 | 40 | 2018 |
Thermodynamics of mixing and ordering in pyrope–grossular solid solution VL Vinograd, MHF Sluiter, B Winkler, A Putnis, U Halenius, JD Gale, ... Mineralogical Magazine 68 (1), 101-121, 2004 | 40 | 2004 |
Thermodynamics of the solid solution-Aqueous solution system (Ba, Sr, Ra) SO4+ H2O: II. Radium retention in barite-type minerals at elevated temperatures VL Vinograd, DA Kulik, F Brandt, M Klinkenberg, J Weber, B Winkler, ... Applied geochemistry 93, 190-208, 2018 | 39 | 2018 |
Subsolidus phase relations in the system predicted from the excess enthalpies of supercell structures with single and double defects VL Vinograd, MHF Sluiter, B Winkler Physical Review B—Condensed Matter and Materials Physics 79 (10), 104201, 2009 | 39 | 2009 |
The description of Al, Si ordering in aluminosilicates using the cluster variation method VL Vinograd American Mineralogist 84 (3), 311-324, 1999 | 39 | 1999 |
Activity–composition relations in the system CaCO3–MgCO3 predicted from static structure energy calculations and Monte Carlo simulations VL Vinograd, BP Burton, JD Gale, NL Allan, B Winkler Geochimica et Cosmochimica Acta 71 (4), 974-983, 2007 | 38 | 2007 |
Probing structural homogeneity of La1-xGdxPO4 monazite-type solid solutions by combined spectroscopic and computational studies N Huittinen, Y Arinicheva, PM Kowalski, VL Vinograd, S Neumeier, ... Journal of nuclear materials 486, 148-157, 2017 | 36 | 2017 |
Composition dependent order-disorder transition in NdxZr1− xO2− 0.5 x pyrochlores: A combined structural, calorimetric and ab initio modeling study S Finkeldei, P Kegler, PM Kowalski, C Schreinemachers, F Brandt, ... Acta Materialia 125, 166-176, 2017 | 36 | 2017 |
Thermodynamics of pyrope–majorite, Mg3Al2Si3O12–Mg4Si4O12, solid solution from atomistic model calculations VL Vinograd, B Winkler, A Putnis, H Kroll, V Milman, JD Gale, ... Molecular Simulation 32 (2), 85-99, 2006 | 36 | 2006 |
The solid solution–aqueous solution system (Sr, Ba, Ra) SO4+ H2O: A combined experimental and theoretical study of phase equilibria at Sr-rich compositions M Klinkenberg, J Weber, J Barthel, V Vinograd, J Poonoosamy, M Kruth, ... Chemical Geology 497, 1-17, 2018 | 30 | 2018 |