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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 HoPhysical Chemistry Chemical Physics : PCCP|April 21, 2015
New trans-stilbene derivatives with large two-photon absorption cross-section and non-linear optical susceptibility values--a theoretical investigationVarun Kundi, Pompozhi Protasis ThankachanThe Journal of Physical Chemistry. A|April 8, 2016
Packing of Large Two- and Three-Photon Activity Into Smallest Possible Unsymmetrical Fluorene ChromophoresVarun Kundi, Pompozhi Protasis ThankachanPhysical Chemistry Chemical Physics : PCCP|December 16, 2014
Are thermodynamic cycles necessary for continuum solvent calculation of pKas and reduction potentials?Junming HoPhysical Chemistry Chemical Physics : PCCP|July 21, 2016
Solvent effects on static polarizability, static first hyperpolarizability and one- and two-photon absorption properties of functionalized triply twisted Möbius annulenes: a DFT studyMd Mehboob Alam, Varun Kundi, Pompozhi Protasis ThankachanPhysical Chemistry Chemical Physics : PCCP|February 12, 2015
Triply twisted Möbius annulene: a new class of two-photon active material--a computational studyVarun Kundi, Md Mehboob Alam, Pompozhi Protasis ThankachanThe Journal of Physical Chemistry. A|October 2, 2024
The Quality of Embedding Charges Is Critical for Convergence of Many-Body Expansions When BSSE Is AbsentYuhong Jiang, Junming HoJournal 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 Autodock4ZnMackenzie Taylor, Junming HoThe Journal of Physical Chemistry Letters|December 15, 2025
Counterpoise Correction and Charge Embedding as Antidotes for Delocalization Error in Density Functional Many-Body ExpansionYuhong Jiang, Junming HoThe Journal of Physical Chemistry. A|November 16, 2023
Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction ThermochemistryBun Chan, Junming HoPageof 10