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- Novel insights into adsorption mechanism of benzohydroxamic acid on lead (II)-activated cassiterite surface: An integrated experimental and computational study.Minerals Engineering
- Adsorption mechanism of 4-Amino-5-mercapto-1,2,4-triazole as flotation reagent on chalcopyrite.Langmuir
- Binding MoSe2 with carbon constrained in carbonous nanosphere towards high-capacity and ultrafast Li/Na-ion storage.Energy Storage Materials
- Insights into the Stability of Zeolitic Imidazolate Frameworks in Humid Acidic Environments From First Principles Calculations.Journal of Physical Chemistry C
- Discovery of a Novel Cationic Surfactant: Tributyltetradecyl-Phosphonium Chloride for Iron Ore Flotation: From Prediction to Experimental Verification.Minerals
- Insights into the Activation Mechanism of Calcium Ions on the Sericite Surface: A Combined Experimental and Computational Study.Applied Surface Science
- Synthesis of acetic acid-[(hydrazinylthioxomethyl)thio]-sodium and its application on the flotation separation of molybdenite from galena.Journal of Industrial and Engineering Chemistry
- Computational Characterization of Defects in Metal–Organic Frameworks: Spontaneous and Water-Induced Point Defects in ZIF-8.The Journal of Physical Chemistry letters
- An efficient localization procedure for large systems using a sequential transformation strategy.Journal of Chemical Physics
- Efficient Implementation of Local Excitation Approximation for Treating Excited States of Molecules in Condensed Phase.Journal of Chemical Theory and Computation