A quantitative uncertainty metric controls error in neural network-driven chemical discovery

por Janet, Jon Paul, Duan, Chenru, Yang, Tzuhsiung, Nandy, Aditya, Kulik, Heather J.
Publicado 2019

Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis

por Liu, Fang, Yang, Tzuhsiung, Yang, Jing, Xu, Eve, Bajaj, Akash, Kulik, Heather J.
Publicado 2019

Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

por Taylor, Michael G., Yang, Tzuhsiung, Lin, Sean, Nandy, Aditya, Janet, Jon Paul, Duan, Chenru, Kulik, Heather J.
Publicado 2020

Dipole moment as the underlying mechanism for enhancing the immobilization of glucose oxidase by ferrocene-chitosan for superior specificity non-invasive glucose sensing

por Ting, Jo-Han, Lin, Po-Chuan, Gupta, Shivam, Liu, Ching-Hao, Yang, Tzuhsiung, Lee, Chi-Young, Lai, Yi-Ting, Tai, Nyan-Hwa
Publicado 2023

Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres

por Widger, Leland R., Davies, Casey G., Yang, Tzuhsiung, Siegler, Maxime A., Troeppner, Oliver, Jameson, Guy N. L., Ivanović-Burmazović, Ivana, Goldberg, David P.
Publicado 2014

Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electrophilic and Nucleophilic Pathways

por Neu, Heather M., Yang, Tzuhsiung, Baglia, Regina A., Yosca, Timothy H., Green, Michael T., Quesne, Matthew G., de Visser, Sam P., Goldberg, David P.
Publicado 2014

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a Mn(V)–Oxo Complex

por Neu, Heather M, Quesne, Matthew G, Yang, Tzuhsiung, Prokop-Prigge, Katharine A, Lancaster, Kyle M, Donohoe, James, DeBeer, Serena, de Visser, Sam P, Goldberg, David P
Publicado 2014