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The Journal of Chemical Physics|October 15, 2013
Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: theory, implementation, and applications to spin-orbit splitting of lower p-block atomsInkoo Kim, Yoon Sup LeeThe Journal of Chemical Physics|November 3, 2014
Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potentialInkoo Kim, Yoon Sup LeeThe Journal of Chemical Physics|March 17, 2007
Theoretical investigation of the alkaline-earth dihydrides from relativistic all-electron, pseudopotential, and density-functional studyIvan S Lim, Yoon Sup LeeJournal of Computational Chemistry|July 23, 2013
A protocol to evaluate one electron redox potential for iron complexesHyungjun Kim, Joungwon Park, Yoon Sup LeeThe Journal of Chemical Physics|October 19, 2010
Spin-orbit density functional and ab initio study of HgX(n) (X=F, Cl, Br, and I; n=1, 2, and 4)Joonghan Kim, Hyotcherl Ihee, Yoon Sup LeeJournal 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 LeeJournal of Chemical Theory and Computation|November 18, 2015
Orbital Optimization in the Active Space Decomposition ModelInkoo Kim, Shane M Parker, Toru ShiozakiJournal of Molecular Graphics & Modelling|July 23, 2008
Structural determination of large molecules through the reassembly of optimized fragmentsJung-Goo Lee, Yoon Sup Lee, Christopher RolandThe Journal of Physical Chemistry. B|April 16, 2009
Spin-orbit and electron correlation effects on the structure of EF3 (E = I, At, and element 117)Hyoseok Kim, Yoon Jeong Choi, Yoon Sup LeePhysical Chemistry Chemical Physics : PCCP|August 22, 2018
A proton transfer network that generates deprotonated tyrosine is a key to producing reactive oxygen species in phototoxic KillerRed proteinWook Lee, Inkoo Kim, Young Min RheePageof 6