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11 p, 1.6 MB Interlayer structure and dynamics of alkylammonium-intercalated smectites with and without water : A molecular dynamics study / Liu, Xiandong (Nanjing University. Department of Earth Sciences) ; Lu, Xiancai (Nanjing University. Department of Earth Sciences) ; Wang, Rucheng (Nanjing University. Department of Earth Sciences) ; Zhou, Huiquin (Nanjing University. Department of Earth Sciences) ; Xu, Shijin (Nanjing University. Department of Earth Sciences)
The structure and dynamics of alkylammonium-intercalated smectites were simulated using molecular dynamics employing the clayff-CVFF force field, the reliability of which was firstly validated for these systems. [...]
2007 - 10.1346/CCMN.2007.0550602
Clays and Clay Minerals, Vol. 55, Núm. 6 (2007) , p. 554-564  

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