Optimal use of the recurrence relations for the evaluation of molecular integrals over Cartesian Gaussian basis functions. - Ungsik Ryu; Myeongcheol Kim; Yoon Sup Lee (J. Comput. Chem., 1993)

Spin-orbit effects on structures of closed-shell polyatomic molecules containing heavy atoms calculated by two-component Hartree-Fock method. - Young-Kyu Han; Cheolbeom Bae; Yoon Sup Lee; Sang Yeon Lee (J. Comput. Chem., 1998)

Electronic and chelation effects on the unusual C2-methylation of N-(para-substituted)phenylaziridines with lithium organocuprates. - Jongtaek Kim; Eunjung Yoo; Sukbok Chang; Yoon Sup Lee (J. Comput. Chem., 2011)

A protocol to evaluate one electron redox potential for iron complexes. - Hyungjun Kim; Joungwon Park; Yoon Sup Lee (J. Comput. Chem., 2013)

Prediction of the reduction potential of tris(2, 2′-bipyridinyl)iron(III/II) derivatives. - Hyungjun Kim; Joungwon Park; Yoon Sup Lee (J. Comput. Chem., 2015)