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
71 2013 Thermodynamic properties of MgSiO3 majorite and phase transitions near 660 km depth in MgSiO3 and Mg2 SiO4 : A first principles study YG Yu, RM Wentzcovitch, VL Vinograd, RJ Angel
Journal of Geophysical Research: Solid Earth 116 (B2), 2011
69 2011 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 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
64 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
60 2022 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 (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
51 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
46 2015 Thermodynamics of mixing in pyrope-grossular, Mg3 Al2 Si3 O12 -Ca3 Al2 Si3 O12 , solid solution from lattice dynamics calculations and Monte Carlo simulations VL Vinograd, MHF Sluiter
American Mineralogist 91 (11-12), 1815-1830, 2006
46 2006 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
40 2018 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 Subsolidus phase relations in the VL Vinograd, MHF Sluiter, B Winkler
Physical Review B—Condensed Matter and Materials Physics 79 (10), 104201, 2009
39 2009 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
39 2007 The description of Al, Si ordering in aluminosilicates using the cluster variation method VL Vinograd
American Mineralogist 84 (3), 311-324, 1999
38 1999 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
37 2017 Thermodynamics of pyrope–majorite, Mg3 Al2 Si3 O12 –Mg4 Si4 O12 , 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 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
35 2017 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
31 2018 