Junming Ho - Dissemin

All papers authored by Junming Ho

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2023 Matthew Sims, Minzhi Wang, Johanna Wordsworth, Ali Alinezhad, Richard D. Tilley

, Wolfgang Schuhmann

, Junming Ho

, Tania M. Benedetti, J. Justin Gooding

, J. Justin Gooding

In Nanoconfined Environments, Larger Ions in the Electrolyte Influence the Local Proton Availability for the Oxygen Reduction Reaction

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Bun Chan

, Junming Ho

Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction Thermochemistry

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Taweetham Limpanuparb

, Junming Ho

Visualization of Validity Ranges for Acid Approximations: Error Contour Plots as a Function of Concentration and K_a

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Wanutcha Lorpaiboon, Junming Ho

High-Level Quantum Chemical Prediction of C–F Bond Dissociation Energies of Perfluoroalkyl Substances

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Bun Chan

, Amir Karton, Junming Ho

Counterpoise correction from a practical perspective: is the result worth the cost?

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Minzhi Wang, Xinlan He, Mackenzie Taylor, Wanutcha Lorpaiboon, Haedam Mun, Junming Ho

Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to the Choice of Basis Sets

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Xinlan He, Minzhi Wang, Wanutcha Lorpaiboon, Haedam Mun, Mackenzie Taylor, Junming Ho

Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to Choice of Basis Set

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2022 Yuhong Jiang, Claudiu T. Supuran

, Junming Ho

Quantum Chemical Prediction of the Acidities of Sulfonamide Inhibitors of Carbonic Anhydrase

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Mackenzie Taylor, Haibo Yu

, Junming Ho

Predicting Solvent Effects on S_N2 Reaction Rates: Comparison of QM/MM, Implicit, and MM Explicit Solvent Models

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Sopanant Datta

, Junming Ho

, Taweetham Limpanuparb

, Wanutcha Lorpaiboon

A -value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods

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Junbo Chen

, Jason B. Harper

, Junming Ho

Improving the Accuracy of Quantum Mechanics/Molecular Mechanics (QM/MM) Models with Polarized Fragment Charges

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You Dan Xu, Linqing Tian, Rebecca Yong Lai, Zihao Li

, Eliška Procházková

, Junming Ho

, Martina H. Stenzel

Development of an Albumin–Polymer Bioconjugate via Covalent Conjugation and Supramolecular Interactions

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2021 Isolde Sandler

, Shaleen Sharma, Bun Chan

, Junming Ho

Accurate Quantum Chemical Prediction of Gas-Phase Anion Binding Affinities and Their Structure-Binding Relationships

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Xiaoliang Pan

, Junjie Yang, Richard Van, Evgeny Epifanovsky, Junming Ho

, Jing Huang

, Jingzhi Pu

, Ye Mei

, Kwangho Nam

, Yihan Shao

Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions

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Junbo Chen

, Jin Kato, Jason B. Harper

, Yihan Shao

, Junming Ho

On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water

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Tsz Tin Yu

, Rajesh Kuppusamy

, Muhammad Yasir

, M.-D. Musfizur Hassan, M. D. Musfizur Hassan, Manjulatha Sara, Junming Ho

, Mark D. P. Willcox

, David S.-T.-C. Black

, Naresh Kumar

Polyphenylglyoxamide-Based Amphiphilic Small Molecular Peptidomimetics as Antibacterial Agents with Anti-Biofilm Activity

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A. Daryl Ariawan, A. Daryl Ariawan, Flora Mansour, Nicole Richardson, Mohan Bhadbhade, Junming Ho

, Luke Hunter

The Effect of Vicinal Difluorination on the Conformation and Potency of Histone Deacetylase Inhibitors

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Jakob D. E. Lane, Stuart N. Berry, William Lewis, Junming Ho

, Katrina A. Jolliffe

Diaminomethylenemalononitriles and Diaminomethyleneindanediones as Dual Hydrogen Bond Donors for Anion Recognition

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Isolde Sandler

, Junbo Chen

, Mackenzie Taylor, Shaleen Sharma, Junming Ho

Accuracy of DLPNO-CCSD(T): Effect of Basis Set and System Size

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Isolde Sandler, Jason B. Harper

, Junming Ho

Explanation of Substituent Effects on the Enolization of β-Diketones and β-Ketoesters

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All papers authored by Junming Ho