Introduction to a Special Issue on Molecular Computer Simulations of Clays and Clay-Water Interfaces: Recent Progress, Challenges, and Opportunities Andrey G. KalinichevXiandong LiuRandall T. Cygan OriginalPaper 01 August 2016 Pages: 335 - 336
Cadmium(II) Complexes Adsorbed on Clay Edge Surfaces: Insight from First Principles Molecular Dynamics Simulation Chi ZhangXiandong LiuRucheng Wang OriginalPaper 01 August 2016 Pages: 337 - 347
Investigation of the Interlayer Organization of Water And Ions in Smectite from the Combined Use of Diffraction Experiments and Molecular Simulations. A Review of Methodology, Applications, and Perspectives Eric Ferrage OriginalPaper 01 August 2016 Pages: 348 - 373
Molecular Dynamics Simulations of Anion Exclusion in Clay Interlayer Nanopores Christophe TournassatIan C. BourgCarl I. Steefel OriginalPaper 01 August 2016 Pages: 374 - 388
Molecular Simulation of Cesium Adsorption at the Basal Surface of Phyllosilicate Minerals Sebastien KerisitMasahiko OkumuraMasahiko Machida OriginalPaper 01 August 2016 Pages: 389 - 400
Structural and Spectroscopic Characterization of Montmorillonite Intercalated with N-Butylammonium Cations (N = 1-4) — Modeling and Experimental Study Eva ScholtzováJana MadejováDaniel Tunega OriginalPaper 01 August 2016 Pages: 401 - 412
Stability of the Hydronium Cation in the Structure of Illite Elizabeth Escamilla-RoaFernando NietoC. Ignacio Sainz-Díaz OriginalPaper 01 August 2016 Pages: 413 - 424
Effect of Polydispersity of Clay Platelets on the Aggregation and Mechanical Properties of Clay at the Mesoscale Davoud EbrahimiAndrew J. WhittleRoland J.-M. Pellenq OriginalPaper 01 August 2016 Pages: 425 - 437
Comparative Computational Study of NP(V) and U(VI) Adsorption on (110) Edge Surfaces of Montmorillonite Alena KremlevaSven Krüger OriginalPaper 01 August 2016 Pages: 438 - 451
Structure and Dynamics of Water-Smectite Interfaces: Hydrogen Bonding and the Origin of the Sharp O-Dw/O-Hw Infrared Band From Molecular Simulations Marek SzczerbaArtur KuligiewiczAndrey G. Kalinichev OriginalPaper 01 August 2016 Pages: 452 - 471
Ion Adsorption at Clay-Mineral Surfaces: The Hofmeister Series for Hydrated Smectite Minerals Thomas UnderwoodValentina ErastovaH. Chris Greenwell OriginalPaper 01 August 2017 Pages: 472 - 487
Intercalation of Ethylene Glycol in Smectites: Several Molecular Simulation Models Verified by X-Ray Diffraction Data Marek SzczerbaAndrey G. Kalinichev OriginalPaper 01 August 2017 Pages: 488 - 502
Changes in the Interlayer Structure and Thermodynamics of Hydrated Montmorillonite Under Basin Conditions: Molecular Simulation Approaches Jinhong ZhouXiancai LuEdo S. Boek OriginalPaper 01 August 2017 Pages: 503 - 511