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Journal of Chemical Theory and Computation|January 19, 2023
Accurate Spin-Orbit Coupling by Relativistic Mixed-Reference Spin-Flip-TDDFTKonstantin Komarov, Woojin Park, Seunghoon Lee, et al.Journal of Chemical Theory and Computation|January 6, 2021
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and DiradicaloidsYevhen Horbatenko, Saima Sadiq, Seunghoon Lee, et al.The Journal of Physical Chemistry Letters|December 26, 2025
Elucidation of Ultrafast Decay, Vibrational Beating, and Slow Decay Processes of Excited AzuleneWoojin Park, Jong Min Lim, Seogjoo J Jang, et al.Journal of Computational Chemistry|December 7, 2005
A theoretical study of thermal [1,3]-sigmatropic rearrangements of 3-trimethylsilyl-1-pyrazoline: concerted vs. stepwise mechanismsChultack Lim, Hee Soon Lee, Young-Woo Kwak, et al.The Journal of Physical Chemistry Letters|October 7, 2021
Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response MethodologyVladimir Pomogaev, Seunghoon Lee, Sason Shaik, et al.Molecular Informatics|August 5, 2016
Quality Assessment of Predicted Protein Models Using Energies Calculated by the Fragment Molecular Orbital MethodDavid Simoncini, Hiroya Nakata, Koji Ogata, et al.Journal of Chemical Theory and Computation|November 21, 2015
Simulations of Raman Spectra Using the Fragment Molecular Orbital MethodHiroya Nakata, Dmitri G Fedorov, Satoshi Yokojima, et al.Journal of the American Chemical Society|July 18, 2002
Passive and active oxidation of Si(100) by atomic oxygen: a theoretical study of possible reaction mechanismsCheol Ho Choi, Da-Jiang Liu, J W Evans, et al.Journal of Chemical Theory and Computation|October 16, 2023
Doubly Tuned Exchange-Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional TheoryKonstantin Komarov, Woojin Park, Seunghoon Lee, et al.The Journal of Physical Chemistry Letters|April 30, 2021
Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of ThymineWoojin Park, Seunghoon Lee, Miquel Huix-Rotllant, et al.Pageof 14