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Publications by Ziqi Tian
First-Principles Molecular Dynamics Simulation of the Ca2UO2(CO3)3 Complex in Water
Dalton Transactions
Inorganic Chemistry
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Solvation of the Ca2UO2(CO3)3Complex in Seawater From Classical Molecular Dynamics
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First-Principles Molecular-Dynamics Simulation of Liquid Rubidium Under High Pressures
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First-Principles Molecular Dynamics Study of Al/Alq3interfaces
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Structural Properties of Glassy Ge2Se3from First-Principles Molecular Dynamics
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First-Principles Molecular Dynamics Simulations of Proton Diffusion in Cubic BaZrO $$_3$$ 3 Perovskite Under Strain Conditions
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3P118 Molecular Dynamics Simulation of Phoborhodopsin/Transducer Complex
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Free Energy Profile of NaCl in Water: First-Principles Molecular Dynamics With SCAN and B97XV ExchangeCorrelation Functionals
Structure and Dynamics of Water at the Water−Air Interface Using First Principles Molecular Dynamics Simulations II: Non-Local vs Empirical Van Der Waals Corrections
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