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Journal Article

Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations

Yingchun Zhang, Xiandong Liu, Jun Cheng, Xiancai Lu
Published: 01 November 2021
American Mineralogist (2021) 106 (11): 1736–1743.
DOI: https://doi.org/10.2138/am-2021-7835
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MOLECULAR DYNAMICS SIMULATION OF ALKYLAMMONIUM-INTERCALATED VERMICULITES

Cheng Chen, Xiandong Liu, Yingchun Zhang, Chi Zhang, Xiancai Lu
Published: 01 December 2017
Clays and Clay Minerals (2017) 65 (6): 378–386.
DOI: https://doi.org/10.1346/CCMN.2017.064070
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INTRODUCTION TO A SPECIAL ISSUE ON MOLECULAR COMPUTER SIMULATIONS OF CLAYS AND CLAY–WATER INTERFACES: RECENT PROGRESS, CHALLENGES, AND OPPORTUNITIES

Andrey G. Kalinichev, Xiandong Liu, Randall T. Cygan
Published: 01 August 2016
Clays and Clay Minerals (2016) 64 (4): 335–336.
DOI: https://doi.org/10.1346/CCMN.2016.0640400
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CADMIUM(II) COMPLEXES ADSORBED ON CLAY EDGE SURFACES: INSIGHT FROM FIRST PRINCIPLES MOLECULAR DYNAMICS SIMULATION

Chi Zhang, Xiandong Liu, Xiancai Lu, Evert Jan Meijer, Kai Wang, Mengjia He, Rucheng Wang
Published: 01 August 2016
Clays and Clay Minerals (2016) 64 (4): 337–347.
DOI: https://doi.org/10.1346/CCMN.2016.0640402
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Atomistic simulation on mixing thermodynamics of calcite-smithsonite solid solutions

Xin Liu, Xiancai Lu, Xiandong Liu, Huiqun Zhou
Published: 01 January 2015
American Mineralogist (2015) 100 (1): 172–180.
DOI: https://doi.org/10.2138/am-2015-4815
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FIRST-PRINCIPLES MOLECULAR DYNAMICS INSIGHT INTO Fe 2+ COMPLEXES ADSORBED ON EDGE SURFACES OF CLAY MINERALS

Xiandong Liu, Evert Jan Meijer, Xiancai Lu, Rucheng Wang
Published: 01 August 2012
Clays and Clay Minerals (2012) 60 (4): 341–347.
DOI: https://doi.org/10.1346/CCMN.2012.0600401
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AB INITIO MOLECULAR DYNAMICS STUDY OF Fe-CONTAINING SMECTITES

Xiandong Liu, Evert Jan Meijer, Xiancai Lu, Rucheng Wang
Published: 01 February 2010
Clays and Clay Minerals (2010) 58 (1): 89–96.
DOI: https://doi.org/10.1346/CCMN.2010.0580109
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Molecular dynamics insight into the cointercalation of hexadecyltrimethyl-ammonium and acetate ions into smectites

Xiandong Liu, Xiancai Lu, Rucheng Wang, Huiqun Zhou, Shijin Xu
Published: 01 January 2009
American Mineralogist (2009) 94 (1): 143–150.
DOI: https://doi.org/10.2138/am.2009.2887
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INTERLAYER STRUCTURE AND DYNAMICS OF ALKYLAMMONIUM-INTERCALATED SMECTITES WITH AND WITHOUT WATER: A MOLECULAR DYNAMICS STUDY

Xiandong Liu, Xiancai Lu, Rucheng Wang, Huiqun Zhou, Shijin Xu
Published: 01 December 2007
Clays and Clay Minerals (2007) 55 (6): 554–564.
DOI: https://doi.org/10.1346/CCMN.2007.0550602
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