First-principles molecular dynamics simulation study on Ti4+ ion in aqueous sulfuric acid - Choe, Yoong-Kee; Tsuchida, Eiji; Tokuda, Kazuya; Otsuka, Jun; Saito, Yoshihiro; Masuno, Atsunobu; Inoue, Hiroyuki (AIP advances, 2021)
Keywords: First principles; Molecular dynamics; Protons; Simulation; Sulfuric acid