Mandaliev, P., Wieland E., Rainer D., Tits J., Zaharko O., Churakov S.V. (2010) Mechanisms of Nd(III) uptake by 11 Å tobermorite and xonotlite. Applied Geochemistry (in press)

Churakov S.V., Kosakowski G. (2010) An ab initio molecular dynamics study of hydronium complexation in Na-Montmorillonite. Philosophical Magazine (in press)

Churakov S.V.(2009) Structure of the interlayer in normal 11 Å tobermorite from an ab initio study. European Journal of Mineralogy, 21(1), 261-271. [Link]

Churakov S.V. (2009) Structural position of H2O molecules and hydrogen bonding in anomalous 11 A tobermorite. Amererican Mineralogist, 94(1), 156-166. [Link]

Churakov S.V. (2008) Hydrogen bond connectivity in jennite from ab initio simulations. Cement and Concrete Research, 38(12), 1359-1364. [Link]

Kosakowski G., Churakov S.V., Thoenen T. (2008) Diffusion of Na and Cs in Montmorillonite. Clays and Clay Mimerals, 56(2), 177-193. [Link]

Churakov S.V. & Mandaliev P. (2008) Structure of the hydrogen bonds and silica defects in the tetrahedral double chain of xonotlite. Cement and Concrete Research, 38(3) 300-311. [Link]

Mandaliev P., Wieland E., Daehn R., Tits J. and Churakov S.V. (2007) Theoretical approaches, XRD and XAFS spectroscopy to identify lanthanide binding mechanism in C-S-H phases. Proceedings of the 12th international congress on the chemistry of cement. Montreal. Canada.

Churakov S.V. (2007) Structure and dynamics of water films confined between edges of pyrophyllite. A first principle study. Geochimica et Cosmochimica Acta 71(5), 1130-1144 [Link]

Churakov S.V. (2006) Ab initio study of sorption on pyrophyllite: Structure and acidity of edge sites. J Phys. Chem. B. 110(9), 4135-4146. [Link]

Churakov S.V. (2005) Ab initio modelling of surface site reactivity and fluid transport in clay minerals case study: Pyrophyllite. PSI Scientific Report 2004/IV, 111-120.

Churakov S.V. (2005) Thermoelastic properties of solid phases: C++ object oriented library. Computers &.Geoscience 31, 786-791. [Link]

Heinrich W., Churakov S.V., Gottschalk M. (2004) Mineral-fluid equilibria in the system CaO-MgO-SiO2-H2O-CO2-NaCl and the record of reactive fluid flow in contact metamorphic oreols. Contrib. Miner. Petrol. 148(2), 131-149.[Link]

Churakov S.V., Iannuzzi M. and Parrinello M. (2004) Ab-initio study of dehydroxylation carbonation reaction on brucite surface. J Phys. Chem. B 108(31) 11567-11574.[Link]

Churakov S.V. & Wunder B. (2004) Ab-initio calculations of the proton location in topaz-OH, Al2SiO4(OH)2. Phys. Chem. Min. 31(3) 131-141.[Link]

Churakov S.V. & Gottschalk M. (2003) Perturbation theory based equation of state for polar molecular fluids. II Fluid mixtures. Geochimica et Cosmochimica Acta 67(13), 2415-2425.[Link]

Churakov S.V. & Gottschalk M. (2003) Perturbation theory based equation of state for polar molecular fluids. I Pure fluids. Geochimica et Cosmochimica Acta 67(13), 2397-2414[Link]

Churakov S.V., Khisina N.R., Urusov V.S. & Wirth R. (2003) First principle study of (MgH2SiO4)•n(Mg2SiO4) hydrous olivine structures. I. Crystal structure modeling of hydrous olivine Hy-2a (MgH2SiO4) x 3(Mg2SiO4). Phys. Chem. Min. 30(1), 1-11. [Link]

Kalinichev A.G. & Churakov S.V. (2001) Thermodynamics and structure of molecular clusters in supercritical water. Fluid Phase Equilibria 183-184, 271-278.[Link]

Frolova T.I., Plechov P.Yu., Tikhomirov P.L. & Churakov S.V. (2001) Melt Inclusions in Minerals of Allivalites of the Kuril-Kamchatka Island Arc. Geochemistry International, 39(4), 336-346.

Churakov S.V., Tkachenko S.I., Korzhinskii M.A., Bocharnikov R.E. & Shmulovich K.I. (2000) Evolution of Composition of High-Temperature Fumarolic Gases from Kudryavy Volcano, Iturup, Kuril Islands: the Thermodynamic Modeling. Geochemistry International, 38(5), 436-451.[PDF-file]

Churakov S.V. & Kalinichev A.G. (2000) Size structure and abundance of molecular clusters in supercritical water over a wide range of densities: Monte-Carlo simulations. In: Tremaine, P.R, Hill, P.G., Irish, D.E., and Balakrishman, P.V. (Editors). 2000. Steam, Water, and Hydrothermal systems: Physics and Chemistry Meeting the Needs of Industry. NRC Research Press, Ottawa, Canada. 418-425.

Churakov S.V. & Kalinichev A.G. (1999) Size and structure of molecular clusters in supercritical water. Journal of Structural Chemistry, 40(4), 548-553.

Kalinichev A.G. & Churakov S.V. (1999) Size and topology of molecular clusters in supercritical water: A molecular dynamics simulation. Chemical Physics Letters (302) 5-6, 411-417.[Link]

Shmulovich K.I. & Churakov S.V. (1998) Natural fluid phases at high temperatures and low pressures. Journal of Geochemical Exploration, 62, 183-191. [Link]

Physical-chemical properties of complex natural fluids.[PDF-file]

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