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Physical Chemistry Chemical Physics : PCCP|January 7, 2016
A mechanistic model for hydrogen activation, spillover, and its chemical reaction in a zeolite-encapsulated Pt catalystHyeyoung Shin, Minkee Choi, Hyungjun KimThe Journal of Physical Chemistry Letters|March 21, 2018
Multiscale Simulation Method for Quantitative Prediction of Surface Wettability at the Atomistic LevelSuji Gim, Hyung-Kyu Lim, Hyungjun KimJournal of Chemical Theory and Computation|September 2, 2016
A Seamless Grid-Based Interface for Mean-Field QM/MM Coupled with Efficient Solvation Free Energy CalculationsHyung-Kyu Lim, Hankyul Lee, Hyungjun KimJournal of Chemical Theory and Computation|April 8, 2025
Kernel-Based Modeling of Electron-Density Polarization at Metal-Liquid InterfacesJihun An, Hyung-Kyu Lim, Hyungjun KimJournal of Computational Chemistry|October 29, 2014
Prediction of the reduction potential of tris(2,2'-bipyridinyl)iron(III/II) derivativesHyungjun Kim, Joungwon Park, Yoon Sup LeeThe Journal of Chemical Physics|August 1, 2025
Taming the virtual space for incremental full configuration interactionJeffrey Hatch, Paul M ZimmermanThe Journal of Chemical Physics|March 15, 2022
Charge transfer via spin flip configuration interaction: Benchmarks and application to singlet fissionHanjie Jiang, Paul M ZimmermanJournal of Chemical Theory and Computation|February 26, 2016
Optimizing Vibrational Coordinates To Modulate Intermode CouplingPaul M Zimmerman, Peter SmerekaThe Journal of Organic Chemistry|January 21, 2021
Brønsted-Acid-Catalyzed Intramolecular Carbonyl-Olefin Reactions: Interrupted Metathesis vs Carbonyl-Ene ReactionTanmay Malakar, Paul M ZimmermanPhysical Chemistry Chemical Physics : PCCP|March 3, 2018
Uncovering reaction sequences on surfaces through graphical methodsMina Jafari, Paul M ZimmermanPageof 51