Crystal Structures, Vibrational Spectra, and Fungicidal Activity of 1,5-Diaryl-3-oxypyrazoles

by Yi Li, Yuanyuan Liu, Yihuang Xiong, Xiaohui Xiong
Published 2014-01-01

Extensive Benchmarking of DFT+<i>U</i> Calculations for Predicting Band Gaps

by Nicole E. Kirchner-Hall, Wayne Zhao, Yihuang Xiong, Iurii Timrov, Ismaila Dabo
Published 2021-03-01