Andrey G. Kalinichev : rechercher sur Z-Library

Kraevsky, Sergey V., Tournassat, Christophe, Vayer, MarylÃ¨ne, Warmont, Fabienne, Grangeon, Sylvain, Ngouana Wakou, Brice F., Kalinichev, Andrey G.

Année:

2004

Langue:

english

Fichier:

PDF, 451 KB

english, 2004

Identification of montmorillonite particle edge orientations by atomic-force microscopy

Journal:

Applied Clay Science

Année:

2020

Langue:

english

Fichier:

PDF, 2.87 MB

english, 2020

Effects of background cations on the fouling of polyethersulfone membranes by natural organic matter: Experimental and molecular modeling study

Won-Young Ahn, Andrey G. Kalinichev, Mark M. Clark

Journal:

Journal of Membrane Science

Année:

2008

Langue:

english

Fichier:

PDF, 2.43 MB

english, 2008

Molecular dynamics modeling of the structure, dynamics and energetics of mineral–water interfaces: Application to cement materials

Andrey G. Kalinichev, Jianwei Wang, R. James Kirkpatrick

Journal:

Cement and Concrete Research

Année:

2007

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2007

Molecular modeling of the 10-Å phase at subduction zone conditions

Jianwei Wang, Andrey G. Kalinichev, R.James Kirkpatrick

Journal:

Earth and Planetary Science Letters

Année:

2004

Langue:

english

Fichier:

PDF, 404 KB

english, 2004

Molecular modeling of water structure in nano-pores between brucite (001) surfaces

Jianwei Wang, Andrey G Kalinichev, R.James Kirkpatrick

Journal:

Wang, Jianwei, Kalinichev, Andrey G., Kirkpatrick, R. James

Année:

2004

Langue:

english

Fichier:

PDF, 798 KB

english, 2004

Asymmetric Hydrogen Bonding and Orientational Ordering of Water at Hydrophobic and Hydrophilic Surfaces: A Comparison of Water/Vapor, Water/Talc, and Water/Mica Interfaces

Journal:

Ngouana W., Brice F., Kalinichev, Andrey G.

Année:

2009

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2009

Structural Arrangements of Isomorphic Substitutions in Smectites: Molecular Simulation of the Swelling Properties, Interlayer Structure, and Dynamics of Hydrated Cs–Montmorillonite Revisited with New Clay Models

Journal:

Loganathan, Narasimhan, Yazaydin, A. Ozgur, Bowers, Geoffrey M., Ngouana-Wakou, Brice F., Kalinichev, Andrey G., Kirkpatrick, R. James

Année:

2014

Langue:

english

Fichier:

PDF, 6.55 MB

english, 2014

Role of Cations in the Methane/Carbon Dioxide Partitioning in Nano- and Mesopores of Illite Using Constant Reservoir Composition Molecular Dynamics Simulation

Journal:

Szczerba, Marek, Kalinichev, Andrey G., Kowalik, Mariola

Année:

2020

Langue:

english

Fichier:

PDF, 5.71 MB

english, 2020

Intrinsic hydrophobicity of smectite basal surfaces quantitatively probed by molecular dynamics simulations

Journal:

Applied Clay Science

Année:

2020

Fichier:

PDF, 4.33 MB

2020

A charged ring model for classical OH−(aq) simulations

Ivan S. Ufimtsev, Andrey G. Kalinichev, Todd J. Martinez, R. James Kirkpatrick

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 534 KB

english, 2007

Structure, Energetics, and Dynamics of Water Adsorbed on the Muscovite (001) Surface: A Molecular Dynamics Simulation

Wang, Jianwei, Kalinichev, Andrey G., Kirkpatrick, R. James, Cygan, Randall T.

Journal:

Wang, Jianwei, Kalinichev, Andrey G., Kirkpatrick, R. James, Hou, Xiaoqiang

Année:

2005

Langue:

english

Fichier:

PDF, 734 KB

english, 2005

Molecular Modeling of the Structure and Energetics of Hydrotalcite Hydration

Journal:

Chemistry of Materials

Année:

2001

Langue:

english

Fichier:

PDF, 164 KB

english, 2001

Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study

Jianwei Wang, Andrey G. Kalinichev, R. James Kirkpatrick

Journal:

Xiang Xu, Andrey G. Kalinichev, R. James Kirkpatrick

Année:

2006

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2006

133Cs and 35Cl NMR spectroscopy and molecular dynamics modeling of Cs+ and Cl− complexation with natural organic matter

Journal:

Andrey G. Kalinichev, Eugenia Iskrenova-Tchoukova, Won-Young Ahn, Mark M. Clark, R. James Kirkpatrick

Année:

2006

Langue:

english

Fichier:

PDF, 670 KB

english, 2006

Effects of Ca2+ on supramolecular aggregation of natural organic matter in aqueous solutions: A comparison of molecular modeling approaches

Journal:

Geoderma

Année:

2011

Langue:

english

Fichier:

PDF, 532 KB

english, 2011

Structure, Energetics, and Dynamics of Smectite Clay Interlayer Hydration: Molecular Dynamics and Metadynamics Investigation of Na-Hectorite

Morrow, Christin P., Yazaydin, A. Özgür, Krishnan, Marimuthu, Bowers, Geoffrey M., Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Loganathan, Narasimhan, Kalinichev, Andrey G.

Année:

2013

Langue:

english

Fichier:

PDF, 3.62 MB

english, 2013

On the Hydrogen Bonding Structure at the Aqueous Interface of Ammonium-Substituted Mica: A Molecular Dynamics Simulation

Journal:

Zeitschrift für Naturforschung A

Année:

2013

Langue:

english

Fichier:

PDF, 5.55 MB

english, 2013

Structure and Decompression Melting of a Novel, High-Pressure Nanoconfined 2-D Ice

Wang, Jianwei, Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Szczerba, Marek, Kłapyta, Zenon, Kalinichev, Andrey

Année:

2005

Langue:

english

Fichier:

PDF, 294 KB

english, 2005

Ethylene glycol intercalation in smectites. Molecular dynamics simulation studies

Journal:

Applied Clay Science

Année:

2014

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2014

Hydration, Swelling, Interlayer Structure, and Hydrogen Bonding in Organolayered Double Hydroxides: Insights from Molecular Dynamics Simulation of Citrate-Intercalated Hydrotalcite

Padma Kumar, P., Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Hou,, Kalinichev, Andrey G., Kirkpatrick, R. James

Année:

2006

Langue:

english

Fichier:

PDF, 236 KB

english, 2006

Interlayer Structure and Dynamics of Cl - −LiAl 2 -Layered Double Hydroxide: 35 Cl NMR Observations and Molecular Dynamics Modeling

Journal:

Chemistry of Materials

Année:

2002

Langue:

english

Fichier:

PDF, 509 KB

english, 2002

Molecular Dynamics Modeling of Chloride Binding to the Surfaces of Calcium Hydroxide, Hydrated Calcium Aluminate, and Calcium Silicate Phases

Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Chemistry of Materials

Année:

2002

Langue:

english

Fichier:

PDF, 757 KB

english, 2002

Metal Cation Complexation with Natural Organic Matter in Aqueous Solutions: Molecular Dynamics Simulations and Potentials of Mean Force

Iskrenova-Tchoukova, Eugenia, Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Langmuir

Année:

2010

Langue:

english

Fichier:

PDF, 3.27 MB

english, 2010

Dissociation of carbonic acid: Gas phase energetics and mechanism from ab initio metadynamics simulations

Kumar, P. Padma, Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 621 KB

english, 2007

A multistate empirical valence bond model for solvation and transport simulations of OH− in aqueous solutions

Ufimtsev, Ivan S., Kalinichev, Andrey G., Martinez, Todd J., James Kirkpatrick, R.

Journal:

Physical Chemistry Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2009

Hydrogen-Bonding Structure and Dynamics of Aqueous Carbonate Species from Car−Parrinello Molecular Dynamics Simulations

Kumar, P. Padma, Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Sumarokov, Alexander, Antipov, Andrey, Kalinichev, Alexey, Pulkin, Sergey, Uvarova, Svetlana

Année:

2009

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2009

[IEEE 2014 International Conference Laser Optics - Saint Petersburg, Russia (2014.6.30-2014.7.4)] 2014 International Conference Laser Optics - Nonlinear polarization of two-level atomic medium in the weak polichromatic field

Année:

2014

Langue:

english

Fichier:

PDF, 194 KB

english, 2014

Molecular dynamics computer simulations of the effects of hydrogen bonding on the properties of layered double hydroxides intercalated with organic acids

Kalinichev, Andrey G., Padma Kumar, P., James Kirkpatrick, R.

Journal:

Philosophical Magazine

Année:

2010

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2010

Theoretical modeling of geochemical fluids under high-pressure, high-temperature conditions

Kalinichev, Andrey

Journal:

High Pressure Research

Année:

1991

Langue:

english

Fichier:

PDF, 210 KB

english, 1991

Molecular modeling of the effects of 40Ar recoil in illite particles on their K–Ar isotope dating

Szczerba, Marek, Derkowski, Arkadiusz, Kalinichev, Andrey G., Środoń, Jan

Journal:

Kirkpatrick, R. James, Kalinichev, Andrey G., Bowers, Geoffrey M., Yazaydin, A. Özgür, Krishnan, Marimuthu, Saharay, Moumita, Morrow, Christin P.

Année:

2015

Langue:

english

Fichier:

PDF, 811 KB

english, 2015

Molecular models of natural organic matter and its colloidal aggregation in aqueous solutions: Challenges and opportunities for computer simulations

Kalinichev, Andrey G.

Journal:

Pure & Applied Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 325 KB

english, 2012

NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review

Journal:

American Mineralogist

Année:

2015

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2015

Structure, Energetics and Dynamics of Cs + and H 2 O in Hectorite: Molecular Dynamics Simulations with an Unconstrained Substrate Surface

Loganathan, Narasimhan, Yazaydin, A. Ozgur, Bowers, Geoffrey M, Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Loganathan, Narasimhan, Yazaydin, A. Ozgur, Bowers, Geoffrey M., Kalinichev, Andrey G., Kirkpatrick, R. James

Année:

2016

Langue:

english

Fichier:

PDF, 2.16 MB

english, 2016

Cation and Water Structure, Dynamics, and Energetics in Smectite Clays: A Molecular Dynamics Study of Ca–Hectorite

Journal:

Slanina, Zdenek, Kalinichev, Andrey G.

Année:

2016

Langue:

english

Fichier:

PDF, 5.00 MB

english, 2016

A Configurational Contribution to the Heat Capacity of Gaseous(HDO)2

Journal:

Zeitschrift für Naturforschung A

Année:

1991

Fichier:

PDF, 111 KB

1991

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)

Kalinichev, Andrey G., Kirkpatrick, R. James, Cygan, Randall T.

Journal:

American Mineralogist

Année:

2000

Langue:

english

Fichier:

PDF, 492 KB

english, 2000

Quantifying the Mechanisms of Site-Specific Ion Exchange at an Inhomogeneously Charged Surface: Case of Cs + /K + on Hydrated Muscovite Mica

Loganathan, Narasimhan, Kalinichev, Andrey G.

Journal:

Kalinichev, Andrey V., Frosinyuk, Ana, Peshkova, Maria A., Mikhelson, Konstantin N.

Année:

2017

Langue:

english

Fichier:

PDF, 4.02 MB

english, 2017

The impact of ion association in the optode phase to the dynamic range and the sensitivity of the response of ion-selective bulk optodes

Journal:

Sensors and Actuators B: Chemical

Année:

2017

Langue:

english

Fichier:

PDF, 2.13 MB

english, 2017

Adsorption of gluconate and uranyl on C-S-H phases: Combination of wet chemistry experiments and molecular dynamics simulations for the binary systems

Androniuk, Iuliia, Landesman, Catherine, Henocq, Pierre, Kalinichev, Andrey G.

Journal:

Physics and Chemistry of the Earth, Parts A/B/C

Année:

2017

Langue:

english

Fichier:

PDF, 1.90 MB

english, 2017

Introduction to the special issue of the Journal of Molecular Liquids “Supercritical fluids. Theory and applications” dedicated to Prof. Yu. E. Gorbaty

Idrissi, Abdenacer, Kiselev, Mikhail G., Kalinichev, Andrey G.

Journal:

Journal of Molecular Liquids

Année:

2017

Langue:

english

Fichier:

PDF, 196 KB

english, 2017

Structure of Hydrated Gibbsite and Brucite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal–O–H Angle Bending Terms

Pouvreau, Maxime, Greathouse, Jeffery A., Cygan, Randall T., Kalinichev, Andrey G.

Journal:

Journal of Molecular Liquids

Année:

2017

Langue:

english

Fichier:

PDF, 4.83 MB

english, 2017

Universality of hydrogen bond distributions in liquid and supercritical water

Kalinichev, Andrey G.

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 947 KB

english, 2017

Molecular Dynamics Study of CO 2 and H 2 O Intercalation in Smectite Clays: Effect of Temperature and Pressure on Interlayer Structure and Dynamics in Hectorite

Loganathan, Narasimhan, Yazaydin, A. Ozgur, Bowers, Geoffrey M, Kalinichev, Andrey G., Kirkpatrick, R. James

Journal:

Loganathan, Narasimhan, Bowers, Geoffrey M, Yazaydin, A. Ozgur, Schaef, Herbert Todd, Loring, John, Kalinichev, Andrey G., Kirkpatrick, R. James

Année:

2017

Langue:

english

Fichier:

PDF, 3.96 MB

english, 2017

Clay Swelling in Dry Supercritical Carbon Dioxide: Effects of Interlayer Cations on the Structure, Dynamics, and Energetics of CO 2 Intercalation Probed by XRD, NMR and GCMD Simulations

Journal:

Dekina, Daria I., Kalinichev, Andrey V., Pokhvishcheva, Nadezhda V., Peshkova, Maria A., Mikhelson, Konstantin N.

Année:

2018

Langue:

english

Fichier:

PDF, 2.46 MB

english, 2018

EFFECTS OF QUANTITATIVE COMPOSITION OF THE SENSING PHASE IN THE RESPONSE OF IONOPHORE-BASED OPTICAL SENSORS

Journal:

Sensors and Actuators B: Chemical

Année:

2018

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2018

Competitive Adsorption of H 2 O and CO 2 in 2-Dimensional Nanoconfinement: GCMD Simulations of Cs- and Ca-Hectorites

Loganathan, Narasimhan, Bowers, Geoffrey M., Yazaydin, A. Ozgur, Kalinichev, Andrey G., Kirkpatrick, R. James

Journal: