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List of works by Andrey G. Kalinichev

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

scientific article published on 27 August 2009

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

scientific article published on May 2007

Hydrogen-bonding structure and dynamics of aqueous carbonate species from car-parrinello molecular dynamics simulations

scientific article

Metal cation complexation with natural organic matter in aqueous solutions: molecular dynamics simulations and potentials of mean force.

scientific article published on October 2010

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

article

Structure and decompression melting of a novel, high-pressure nanoconfined 2-D ice

scientific article published on 01 August 2005

Structure and hydrogen bonding in liquid and supercritical aqueous NaCl solutions at a pressure of 1000 bar and temperatures up to 500 degrees C: A comprehensive experimental and computational study

scientific article published on 01 March 2006

Structure, energetics, and dynamics of water adsorbed on the muscovite (001) surface: a molecular dynamics simulation

scientific article published in August 2005

Thermodynamic data of adsorption reveal the entry of CH4 and CO2 in a smectite clay interlayer

scientific article published on 13 July 2020

Understanding methane/carbon dioxide partitioning in clay nano- and meso-pores with constant reservoir composition molecular dynamics modeling

scientific article published on 01 March 2019

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