Effects of spin-orbit coupling on magnetic properties of discrete and extended magnetic systems. - Dadi Dai; Hongjun Xiang; Myung-Hwan Whangbo (J. Comput. Chem., 2008)

Analysis of electronic structures and chemical bonding of metal-rich compounds. I. Density functional study of Pt metal, LiPt2, LiPt, and Li2Pt. - Changhoon Lee; Myung-Hwan Whangbo; Jürgen Köhler (J. Comput. Chem., 2008)

Prediction of Large Second Harmonic Generation in the Metal-Oxide/Organic Hybrid Compound CuMoO3(p2c). - Tingting Yang; Xueli Huang; Xiyue Cheng; Paul A. Maggard; Myung-Hwan Whangbo; Chengkai Luan; Shuiquan Deng (Symmetry, 2022)