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- Machine Learning Approach Based on a Range-Corrected Deep Potential Model for Efficient Vibrational Frequency Computa...
- MLRNet: Combining physics-motivated potential models with neural networks for intermolecular potential energy surface...
- Novel quadrilateral-pore 2D-COFs as visible-light driven catalysts evaluated by the descriptor of integrated pz-orbit...
- Energy Platform for Directed Charge Transfer in the Cascade Z-Scheme Heterojunction: CO2 Photoreduction without a Coc...
- Synthesis of Polymer Single-chain Nanoparticle with High Compactness in Co-solvent Condition: A Computer Simulation S...
- Controlling the Chain Folding for the Synthesis of Single-Chain Polymer Nanoparticles Using Thermoresponsive Polymers
- Methane Borylation Catalyzed by Ru, Rh, and Ir Complexes in Comparison with Cyclohexane Borylation: Theoretical Under...
- Suppression of para-hydrogen superfluidity in a doped nanoscale Bose fluid mixture
- Computational Design and Study of Artificial Selenoenzyme with Controllable Activity Based on an Allosteric Protein S...
- Autonomous helical propagation of active toroids withmechanical action
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