General Protocol for the Accurate Prediction of Molecular 13C/1H NMR Chemical Shifts via Machine Learning Augmented DFT. - Peng Gao; Jun Zhang; Qian Peng; Jie Zhang 089; Vassiliki-Alexandra Glezakou (J. Chem. Inf. Model., 2020)

Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution. - Thomas J. Summers; Difan Zhang; Josiane A. Sobrinho; Ana de Bettencourt-Dias; Roger Rousseau; Vassiliki-Alexandra Glezakou; David C. Cantu (J. Chem. Inf. Model., 2024)