18 results on '"Choi, Cheol-Ho"'
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2. ComparativeProton Transfer Efficienciesof Hydronium and Hydroxidein Aqueous Solution: Proton Transfer vs Brownian Motion.
3. A PrioriPrediction of Heats of Vaporization and Sublimation by EFP2-MD.
4. Solvent Electronic Polarization Effects on NaâNa橷 ClââClâPair Associations in Aqueous Solution.
5. Efficient Parallel Implementations of QM/MM-REMD (QuantumMechanical/Molecular Mechanics-Replica-Exchange MD) and Umbrella Sampling:Isomerization of H2O2in Aqueous Solution.
6. Direct Absolute pKaPredictionsand Proton Transfer Mechanisms of Small Molecules in Aqueous Solutionby QM/MM-MD.
7. Interionic Hydration Structuresof NaCl in AqueousSolution: A Combined Study of Quantum Mechanical Cluster Calculationsand QM/EFP-MD Simulations.
8. Hydrophobic and HydrophilicAssociations of a MethanolPair in Aqueous Solution.
9. Comparative proton transfer efficiencies of hydronium and hydroxide in aqueous solution: proton transfer vs Brownian motion.
10. A priori prediction of heats of vaporization and sublimation by EFP2-MD.
11. Efficient parallel implementations of QM/MM-REMD (quantum mechanical/molecular mechanics-replica-exchange MD) and umbrella sampling: isomerization of H2O2 in aqueous solution.
12. Direct absolute pKa predictions and proton transfer mechanisms of small molecules in aqueous solution by QM/MM-MD.
13. Interionic hydration structures of NaCl in aqueous solution: a combined study of quantum mechanical cluster calculations and QM/EFP-MD simulations.
14. Hydrophobic and hydrophilic associations of a methanol pair in aqueous solution.
15. Adsorption reactions of dimethylaluminum isopropoxide and water on the H/Si(100)-2 x 1 surface: initial reactions for atomic layer deposition of Al2O3.
16. Surface-stabilized amorphous germanium nanoparticles for lithium-storage material.
17. Surface S(N)2 reaction by H2O on chlorinated Si(100)-2 x 1 surface.
18. Comparative study of surface cycloadditions of ethylene and 2-butene on the Si(100)-2 x 1 surface.
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