|
|
Research papers
|
|
|
J.-P. Korb, P.J. McDonald, L. Monteilhet, A.G. Kalinichev, R.J. Kirkpatrick (2007) Comparison of proton field-cycling relaxometry and molecular dynamics simulations for proton–water surface dynamics in cement-based materials. Cement and Concrete Research, 37, 348-350. [pdf 398kB]
|
|
|
X.Xu, A.G.Kalinichev, R.J.Kirkpatrick (2006) 133Cs and 35Cl NMR spectroscopy and molecular dynamics modeling of Cs+ and Cl- complexation with natural organic matter. Geochimica et Cosmochimica Acta, 70, in press. [pdf 664kB]
|
|
|
G.V.Bondarenko, Yu.E.Gorbaty, A.V.Okhulkov, A.G.Kalinichev (2006) Structure and hydrogen bonding in liquid and supercritical aqueous NaCl solutions at a pressure of 1000 bar and temperatures up to 500oC: A comprehensive experimental and computational study. J.Phys.Chem.A, 110, 4042-4052. [pdf 274kB]
|
|
|
R.J.Kirkpatrick, A.G.Kalinichev, J.Wang, X.Hou, J.E.Amonette (2005) Molecular modeling
of the vibrational spectra of interlayer and surface species of layered double hydroxides.
In: The Application of Vibrational Spectroscopy to Clay Minerals and Layered Double Hydroxides, J. Theo Kloprogge, ed. The Clay Mineral Society, Aurora, CO.
CMS Workshop Lecture Series, 13, 239-285. [pdf 774kB]
|
|
|
G.V.Bondarenko, Yu.E.Gorbaty, A.G.Kalinichev, A.V.Okhulkov (2004) Complex study of liquid and supercritical aqueous solutions of electrolytes by methods of vibrational spectroscopy, x-ray diffraction, and molecular dynamics.
In: Experimental Mineralogy: Some Results at the Turn of the Century, V.A.Zharikov, ed. Moscow, Nauka
Publishing, v.2, pp.15-25 (in Russian).
|
|
|
J.Wang, A.G.Kalinichev, J.E.Amonette, R.J.Kirkpatrick (2003) Interlayer structure and dynamics of Cl-bearing hydrotalcite: far infrared spectroscopy and molecular dynamics modeling. American Mineralogist, 88, 398-409. [pdf 1262kB]
|
|
|
G.V.Bondarenko, Yu.E.Gorbaty, A.G.Kalinichev, A.V.Okhulkov, V.K.Popov (2002) A comprehensive study of NaCl aqueous solution at a constant pressure of 1000 bar in the temperature range 20–500oC.
Chemical Engineering Transactions, 2(1), 79-85.
|
|
|
A.G.Kalinichev, R.J.Kirkpatrick (2002) Molecular dynamics modeling of chloride
binding to the surfaces of Ca-hydroxide, hydrated Ca-aluminate and Ca-silicate
phases. Chemistry of Materials,
14, 3539-3549. [pdf 1161kB]
|
|
|
A.G.Kalinichev, R.J.Kirkpatrick, R.T.Cygan (2000) Molecular modeling of
the structure and dynamics of the interlayer and surface species of mixed-metal
layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt).
American Mineralogist, 85, 1046-1052. [pdf 359KB]
|
|
|
Yu.E.Gorbaty, G.V.Bondarenko, A.G.Kalinichev, A.V.Okhulkov (1999) The effect
of pressure on hydrogen bonding in water: IR study of nOD
HDO at pressures of up to 1500 bar. Mol.Phys., 96,
1659-1665. [pdf 215KB]
|
|
|
A.G.Kalinichev, J.D.Bass, B.N.Sun, D.A.Payne (1997) Elastic properties
of tetragonal PbTiO3 single crystals by Brillouin scattering.
J.Mater.Res., 12, 2623-2627. [pdf 175KB]
|
|
|
Yu.E.Gorbaty, A.G.Kalinichev (1995) Hydrogen bonding in supercritical water.
1. Experimental results. J.Phys.Chem., 99, 5336-5340. [pdf 622kB]
|
|
|
A.G.Kalinichev, K.Heinzinger (1995) Molecular dynamics of supercritical
water: A computer simulation of vibrational spectra with the flexible BJH
potential. Geochimica et Cosmochimica Acta, 59, 641-650. [pdf 794KB]
|
|
|
A.G.Kalinichev, J.D.Bass, C.S.Zha, P.D.Han, and D.A.Payne (1993) Elastic
properties of orthorhombic KNbO3 single crystals by Brillouin scattering.
J.Appl.Phys., 74, 6603-6608. [pdf 659KB]
|
|
|
C.S.Zha, A.G.Kalinichev, J.D.Bass, C.T.A.Suchicital, D.A.Payne (1992) Pressure
dependence of the optical absorption in PbTiO3 to 35 GPa: Observation of
the tetragonal-to-cubic phase transition. J.Appl.Phys., 72,
3705-3707. [pdf 417KB]
|
