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Physical Chemistry Chemical Physics : PCCP|July 3, 2018
First-principles calculations of oxidation potentials of electrolytes in lithium-sulfur batteries and their variations with changes in environmentJaebeom Han, Perla B BalbuenaTheoretical Chemistry Accounts|June 19, 2012
Optimization of the explicit polarization (X-Pol) potential using a hybrid density functionalJaebeom Han, Donald G Truhlar, Jiali GaoThe Journal of Chemical Physics|April 3, 2021
Determining the atomic charge of calcium ion requires the information of its coordination geometry in an EF-hand motifPengzhi Zhang, Jaebeom Han, Piotr Cieplak, et al.The Journal of Physical Chemistry. A|July 22, 2009
Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theoryLingchun Song, Jaebeom Han, Yen-lin Lin, et al.The Journal of Chemical Physics|August 10, 2013
Quantum mechanical force field for water with explicit electronic polarizationJaebeom Han, Michael J M Mazack, Peng Zhang, et al.The Journal of Physical Chemistry. A|December 15, 2006
Site-specific hydrogen-bonding interaction between N-acetylproline amide and protic solvent molecules: comparisons of IR and VCD measurements with MD simulationsKwang-Im Oh, Jaebeom Han, Kyung-Koo Lee, et al.The Journal of Chemical Physics|January 4, 2007
Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopyKijeong Kwac, Chewook Lee, Yousung Jung, et al.Journal of Chemical Theory and Computation|September 30, 2020
On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer RatesJaebeom Han, Pengzhi Zhang, Huseyin Aksu, et al.Nature Communications|January 9, 2026
Understanding oxygen transfer on ceria with Pt single atoms for surface reactionYunji Choi, Seokhyun Choung, Jaebeom Han, et al.Nature Materials|February 5, 2024
Photochemical tuning of dynamic defects for high-performance atomically dispersed catalystsChan Woo Lee, Byoung-Hoon Lee, Sunghak Park, et al.Pageof 1