- Molecular modeling of the 10-A phase at subduction zone conditions
- Geology 401 --PHYSICAL GEOCHEMISTRY Instructor: Dr. Andrey Kalinichev 204 Natural History Building,
- 23 December 1994 ELSEVIER Chemical Physics Letters 231 (1994) 301-307
- 26 March 1999 Z .Chemical Physics Letters 302 1999 411417
- Fluid Phase Equilibria 183184 (2001) 271278 Thermodynamics and structure of molecular clusters
- Molecular Dynamics Simulation of the Energetics and Structure of Layered Double Hydroxides Intercalated with Carboxylic Acids
- Structure and Decompression Melting of a Novel, High-Pressure Nanoconfined 2-D Ice Jianwei Wang,* Andrey G. Kalinichev, and R. James Kirkpatrick
- Philosophical Magazine Vol. 90, Nos. 1718, 1428 June 2010, 24752488
- Molecular Dynamics Modeling of Chloride Binding to the Surfaces of Calcium Hydroxide, Hydrated Calcium
- Hydrogen Bonding in Supercritical Water. 2. Computer Simulations A. G. Kalinichev*, and J. D. Bass
- International Journal of Thermophysics, Vol. 7, No. 4, 1986 Monte Carlo Study of the Thermodynamics and
- . doi:10.1016/j.gca.2004.02.016 Molecular modeling of water structure in nano-pores between brucite (001) surfaces
- Structure, Energetics, and Dynamics of Water Adsorbed on the Muscovite (001) Surface: A Molecular Dynamics Simulation
- This article was originally published in a journal published by Elsevier, and the attached copy is provided by Elsevier for the
- Andrey G. Kalinichev -Curriculum Vitae Laboratoire SUBATECH (UMR 6457) Radiochimie, Ecole des Mines de Nantes
- Molecular Modeling of the Structure and Energetics of Hydrotalcite Hydration
- Pressure dependence of optical absorption in PbTiOs to 35 GPa: Observation of the tetragonal-to-cubic phase transition
- 1529-6466/00/0042-0004$05.00 Molecular Simulations of
- Elastic properties of orthorhombic KNbQ3 single crystals rillouin scattering
- A multistate empirical valence bond model for solvation and transport simulations of OH
- MOLECULAR PHYSICS, 1999, VOL. 96, NO. 11, 1659 1665 The e ect of pressure on hydrogen bonding in water: IR study of
- SURFACE ACTION Snapshot of a molecular dynamics simulation shows how water interacts with the surface of a mineral. tobermorite. (Red is oxygen. white is
- Molecular dynamics simulation of cationic complexation with natural organic matter
- Structure and Hydrogen Bonding in Liquid and Supercritical Aqueous NaCl Solutions at a Pressure of 1000 bar and Temperatures up to 500 C: A Comprehensive Experimental and
- Journal of Materials Chemistry b819076c APPLICATION
- 5336 J. Phys. Chem. 1995, 99, 5336-5340 Hydrogen Bonding in Supercritical Water. 1. Experimental Results
- Molecular dynamics modelling of hydrated mineral interlayers and surfaces: structure and dynamics
- Andrey G. Kalinichev Molecular Modeling of Aqueous Solutions and Substrate-Solution Interfaces
- Andrey G. Kalinichev Molecular Modeling of Aqueous Solutions and Substrate-Solution Interfaces
- R. James Kirkpatrick, Andrey G. Kalinichev, Jianwei Wang, Xiaoqiang Hou, and James E. Amonette (2005) molecular modeling of the vibrational spectra of interlayer and surface species of
- DOI: 10.1021/la102535n 15909Langmuir 2010, 26(20), 1590915919 Published on Web 09/21/2010 pubs.acs.org/Langmuir
- Asymmetric Hydrogen Bonding and Orientational Ordering of Water at Hydrophobic and Hydrophilic Surfaces: A Comparison of Water/Vapor, Water/Talc, and Water/Mica
- Hydrogen-Bonding Structure and Dynamics of Aqueous Carbonate Species from Car-Parrinello Molecular Dynamics Simulations
- A charged ring model for classical OH (aq) simulations
- Comparison of proton field-cycling relaxometry and molecular dynamics simulations for protonwater surface dynamics in cement-based materials
- Cl NMR spectroscopy and molecular dynamics modeling complexation with natural organic matter
- Hydration, Swelling, Interlayer Structure, and Hydrogen Bonding in Organolayered Double Hydroxides: Insights from Molecular Dynamics Simulation of Citrate-Intercalated
- Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces
- Petrology, Vol. 13, No. 5, 2005, pp. 407426. Translated from Petrologiya, Vol. 13, No. 5, 2005, pp. 451472. Original Russian Text Copyright 2005 by Bezmen, Zharikov, Zevel'sky, Kalinichev.
- Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
- American Mineralogist, Volume 88, pages 398409, 2003 0003-004X/03/0203398$05.00 398
- American Mineralogist, Volume 85, pages 10461052, 2000 0003-004X/00/07081046$05.00 1046
- Elastic properties of tetragonal PbTiO3 single crystals by Brillouin scattering
- A. G. Kalinichev: Molecular Dynamics and Self-Diffusion in Supcrcrilical Water. --' "'.' '---(4) .I.R. Grigera, E.' Vericat, K. Hallenga, and 1I..I.e. Berendsen,
- Dissociation of carbonic acid: Gas phase energetics and mechanism from ab initio metadynamics simulations
- Available online at www.rilem.net Materials and Structures 38 (May 2005) 449-458
- Interlayer Structure and Dynamics of Cl--LiAl2-Layered Double Hydroxide: 35Cl NMR Observations and
- Available online at www.sciencedirect.com Journal of Membrane Science 309 (2008) 128140
- Effects of Ca2+ on supramolecular aggregation of natural organic matter in aqueous
