Junming Ho
0000-0001-9381-924X
University of New South Wales
85 papers found
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In Nanoconfined Environments, Larger Ions in the Electrolyte Influence the Local Proton Availability for the Oxygen Reduction Reaction
Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction Thermochemistry
Visualization of Validity Ranges for Acid Approximations: Error Contour Plots as a Function of Concentration and Ka
High-Level Quantum Chemical Prediction of C–F Bond Dissociation Energies of Perfluoroalkyl Substances
Counterpoise correction from a practical perspective: is the result worth the cost?
Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to the Choice of Basis Sets
Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to Choice of Basis Set
Quantum Chemical Prediction of the Acidities of Sulfonamide Inhibitors of Carbonic Anhydrase
Predicting Solvent Effects on SN2 Reaction Rates: Comparison of QM/MM, Implicit, and MM Explicit Solvent Models
A -value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods
Improving the Accuracy of Quantum Mechanics/Molecular Mechanics (QM/MM) Models with Polarized Fragment Charges
Development of an Albumin–Polymer Bioconjugate via Covalent Conjugation and Supramolecular Interactions
Accurate Quantum Chemical Prediction of Gas-Phase Anion Binding Affinities and Their Structure-Binding Relationships
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions
On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water
Polyphenylglyoxamide-Based Amphiphilic Small Molecular Peptidomimetics as Antibacterial Agents with Anti-Biofilm Activity
The Effect of Vicinal Difluorination on the Conformation and Potency of Histone Deacetylase Inhibitors
Diaminomethylenemalononitriles and Diaminomethyleneindanediones as Dual Hydrogen Bond Donors for Anion Recognition
Accuracy of DLPNO-CCSD(T): Effect of Basis Set and System Size
Explanation of Substituent Effects on the Enolization of β-Diketones and β-Ketoesters
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