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All papers authored by Yingchun Zhang

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2024 Yingchun Zhang

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, Adri C. T. van Duin

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, Evert Jan Meijer

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Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling

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Mengzi Zhou

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, Yingchun Zhang

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, Xiaoyu Zhang, Kai Wang

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Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO4 Solution at 543 K

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Yingchun Zhang

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, Xiancai Lu, Rucheng Wang

Understanding the unique geochemical behavior of Sc in the interaction with clay minerals

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2023 Haotian Su, Yingchun Zhang

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, Jinhong Zhou, Qingfeng Hou

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Molecular dynamics simulation of dodecyl dimethyl benzyl ammonium cation-intercalated montmorillonite

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2022 Yingchun Zhang

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Acidity and metal complexation of edge surface of birnessite-type MnO₂: Insight from first principles simulations

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Ahmed Abdelmonem

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, Yingchun Zhang

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, Björn Braunschweig

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, Dana Glikman, Armin Rumpel, Wolfgang Peukert

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, Tajana Begović

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, Johannes Lützenkirchen

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Adsorption of CTAB on Sapphire-c at High pH: Surface and Zeta Potential Measurements Combined with Sum-Frequency and Second-Harmonic Generation

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2021 Yingchun Zhang

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Surface Acidity and As(V) Complexation of Iron Oxyhydroxides: Insights from First-Principles Molecular Dynamics Simulations

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Yingchun Zhang

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, Jun Cheng, Xiancai Lu

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

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2020 Xiaoyu Zhang, Xiandong Liu, Mengjia He, Yingchun Zhang

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, Yicheng Sun, Xiancai Lu

A molecular dynamics simulation study of KF and NaF ion pairs in hydrothermal fluids

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2019 Yingchun Zhang

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, Xiandong Liu, Chi Zhang, Xiancai Lu

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A combined first principles and classical molecular dynamics study of clay-soil organic matters (SOMs) interactions

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2018 Yingchun Zhang

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, Xiandong Liu, Chi Zhang, Xiancai Lu

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Complexation of quinone species on 2:1 dioctahedral phyllosilicate surfaces

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2017 Cheng Chen, Xiandong Liu, Yingchun Zhang

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, Chi Zhang, Xiancai Lu

Molecular Dynamics Simulation of Alkylammonium-intercalated Vermiculites

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Yingchun Zhang

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, Xiandong Liu, Chi Zhang, Mengjia He, Xiancai Lu

Interlayer Structures and Dynamics of Arsenate and Arsenite Intercalated Layered Double Hydroxides: A First Principles Study

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Xiandong Liu

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, Xiancai Lu, Yingchun Zhang

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, Rucheng Wang

Complexation of carboxylate on smectite surfaces

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1970 Yingchun Zhang

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Interlayer structures of birnessite: A first principle molecular dynamics study

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