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Enhanced Sampling for Free Energy Profiles with Post-Transition-State Bifurcations
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Molecular electrostatic potential as a general and versatile indicator for electronic substituent effects: statistical analysis and applications
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High-Energy and Long-Lasting Organic Electrode for a Rechargeable Aqueous Battery
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Influence of Surface Chemistry on the Surfactant Organization and Interfacial Structure of Mesoporous Silica and Organosilica
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Wafer-Scale Anion Exchange Conversion of Nonlayered PtS Films to van der Waals Two-Dimensional PtTe2 Layers with Negative Photoresponsiveness
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Reaction-path statistical mechanics of enzymatic kinetics
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Dynamics and Entropy of Cyclohexane Rings Control pH-Responsive Reactivity
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MLSolvA: solvation free energy prediction from pairwise atomistic interactions by machine learning
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Cooperative Conformational Change of a Single Organic Molecule for Ultrafast Rechargeable Batteries
Son, G, Yoon, H, Park, CB, Kim, C, 정연준, Ri, V, Noh, C, Ko, S, Moon, J