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
116 2014 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
63 2011 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
62 2013 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
61 2014 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
59 2022 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
58 2018 (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 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 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
45 2015 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 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 Subsolidus phase relations in the VL Vinograd, MHF Sluiter, B Winkler
Physical Review B 79 (10), 104201, 2009
38 2009 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
37 2018 The description of Al, Si ordering in aluminosilicates using the cluster variation method VL Vinograd
American Mineralogist 84 (3), 311-324, 1999
37 1999 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 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
35 2018 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
32 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
31 2017 Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions VL Vinograd, B Winkler, A Putnis, JD Gale, MHF Sluiter
Chemical Geology 225 (3-4), 304-313, 2006
29 2006 