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Pure Appl. Chem., 2013, Vol. 85, No. 1, pp. 149-158

http://dx.doi.org/10.1351/PAC-CON-12-05-11

Published online 2012-12-07

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

Andrey G. Kalinichev1,2

1 Departments of Chemistry, Department of Geological Sciences, Michigan State University, East Lansing, MI 48824, USA
2 Laboratoire SUBATECH (UMR 6457), Ecole des Mines de Nantes, 44307 Nantes Cedex 3, France

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  • Bowers Geoffrey M., Hoyt David W., Burton Sarah D., Ferguson Brennan O., Varga Tamas, Kirkpatrick R. James: In Situ 13C and 23Na Magic Angle Spinning NMR Investigation of Supercritical CO2 Incorporation in Smectite–Natural Organic Matter Composites. J. Phys. Chem. C 2014, 118, 3564. <http://dx.doi.org/10.1021/jp410535d>
  • Roger Gaëlle M., Mériguet Guillaume, Bernard Olivier, Durand-Vidal Serge, Turq Pierre: Effect of ionic condensation and interactions between humic substances on their mobility: An experimental and simulation study. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2013, 436, 408. <http://dx.doi.org/10.1016/j.colsurfa.2013.07.007>