Filip Sebesta, Jakub Sebera, Vladimír Sychrovský, Yoshiyuki Tanaka, Jaroslav V. Burda. QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH. Journal of Computational Chemistry, 41(16):1509-1520, 2020. [doi]
Abstract is missing.