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Physical Chemistry Chemical Physics : PCCP
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December 16, 2014
Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?
Junming Ho
The Journal of Physical Chemistry. A
|
October 2, 2024
The Quality of Embedding Charges Is Critical for Convergence of Many-Body Expansions When BSSE Is Absent
Yuhong Jiang, Junming Ho
Journal of Computer-Aided Molecular Design
|
March 17, 2023
MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4<sub>Zn</sub>
Mackenzie Taylor, Junming Ho
The Journal of Physical Chemistry Letters
|
December 15, 2025
Counterpoise Correction and Charge Embedding as Antidotes for Delocalization Error in Density Functional Many-Body Expansion
Yuhong Jiang, Junming Ho
The Journal of Physical Chemistry. B
|
July 26, 2019
Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods?
Varun Kundi, Junming Ho
The Journal of Physical Chemistry. A
|
November 16, 2023
Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction Thermochemistry
Bun Chan, Junming Ho
The Journal of Physical Chemistry. A
|
September 18, 2023
High-Level Quantum Chemical Prediction of C-F Bond Dissociation Energies of Perfluoroalkyl Substances
Wanutcha Lorpaiboon, Junming Ho
The Journal of Physical Chemistry. A
|
September 12, 2019
Accelerating the Calculation of Solute-Solvent Interaction Energies through Systematic Molecular Fragmentation
Michael A Collins, Junming Ho
Journal of Chemical Theory and Computation
|
November 27, 2015
pKa Calculation of Some Biologically Important Carbon Acids - An Assessment of Contemporary Theoretical Procedures
Junming Ho, Michelle L Coote
Journal of Chemical Information and Modeling
|
December 19, 2024
Fatty Alcohol Membrane Model for Quantifying and Predicting Amphiphilicity
Nur Afiqah Ahmad, Junming Ho
Page
of 9
Search research articles
Search
Showing results (1-10 of 83) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
December 16, 2014
Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?
Junming Ho
The Journal of Physical Chemistry. A
|
October 2, 2024
The Quality of Embedding Charges Is Critical for Convergence of Many-Body Expansions When BSSE Is Absent
Yuhong Jiang, Junming Ho
Journal of Computer-Aided Molecular Design
|
March 17, 2023
MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4<sub>Zn</sub>
Mackenzie Taylor, Junming Ho
The Journal of Physical Chemistry Letters
|
December 15, 2025
Counterpoise Correction and Charge Embedding as Antidotes for Delocalization Error in Density Functional Many-Body Expansion
Yuhong Jiang, Junming Ho
The Journal of Physical Chemistry. B
|
July 26, 2019
Predicting Octanol-Water Partition Coefficients: Are Quantum Mechanical Implicit Solvent Models Better than Empirical Fragment-Based Methods?
Varun Kundi, Junming Ho
The Journal of Physical Chemistry. A
|
November 16, 2023
Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction Thermochemistry
Bun Chan, Junming Ho
The Journal of Physical Chemistry. A
|
September 18, 2023
High-Level Quantum Chemical Prediction of C-F Bond Dissociation Energies of Perfluoroalkyl Substances
Wanutcha Lorpaiboon, Junming Ho
The Journal of Physical Chemistry. A
|
September 12, 2019
Accelerating the Calculation of Solute-Solvent Interaction Energies through Systematic Molecular Fragmentation
Michael A Collins, Junming Ho
Journal of Chemical Theory and Computation
|
November 27, 2015
pKa Calculation of Some Biologically Important Carbon Acids - An Assessment of Contemporary Theoretical Procedures
Junming Ho, Michelle L Coote
Journal of Chemical Information and Modeling
|
December 19, 2024
Fatty Alcohol Membrane Model for Quantifying and Predicting Amphiphilicity
Nur Afiqah Ahmad, Junming Ho
Page
of 9