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Physical Chemistry Chemical Physics : PCCP|October 31, 2017
Water dynamics in hydrated amorphous materials: a molecular dynamics study of the effects of dehydration in amorphous calcium carbonateMoumita Saharay, R James KirkpatrickPhysical Chemistry Chemical Physics : PCCP|November 7, 2014
Ab initio and metadynamics studies on the role of essential functional groups in biomineralization of calcium carbonate and environmental situationsMoumita Saharay, R James KirkpatrickJournal of Magnetic Resonance (San Diego, Calif. : 1997)|September 1, 2007
High-field (75)As NMR study of arsenic oxysaltsGeoffrey M Bowers, R James KirkpatrickThe Journal of Physical Chemistry. B|July 21, 2006
Structure and decompression melting of a novel, high-pressure nanoconfined 2-D iceJianwei Wang, Andrey G Kalinichev, R James KirkpatrickThe Journal of Physical Chemistry. B|February 28, 2013
Dehydration-induced amorphous phases of calcium carbonateMoumita Saharay, A Ozgur Yazaydin, R James KirkpatrickThe Journal of Physical Chemistry. B|July 21, 2006
Montmorillonite-poly(ethylene oxide) nanocomposites: interlayer alkali metal behaviorMarc X Reinholdt, R James Kirkpatrick, Thomas J PinnavaiaLangmuir : the ACS Journal of Surfaces and Colloids|August 22, 2008
Cation exchange at the mineral-water interface: H3O+/K+ competition at the surface of nano-muscoviteGeoffrey M Bowers, David L Bish, R James KirkpatrickThe Journal of Chemical Physics|June 8, 2007
Dissociation of carbonic acid: gas phase energetics and mechanism from ab initio metadynamics simulationsP Padma Kumar, Andrey G Kalinichev, R James KirkpatrickThe Journal of Physical Chemistry. B|March 3, 2006
Hydration, swelling, interlayer structure, and hydrogen bonding in organolayered double hydroxides: insights from molecular dynamics simulation of citrate-intercalated hydrotalciteP Padma Kumar, Andrey G Kalinichev, R James KirkpatrickLangmuir : the ACS Journal of Surfaces and Colloids|September 23, 2010
Metal cation complexation with natural organic matter in aqueous solutions: molecular dynamics simulations and potentials of mean forceEugenia Iskrenova-Tchoukova, Andrey G Kalinichev, R James KirkpatrickPageof 2