國立清華大學-化學系智動化分子設計實驗室
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Publications

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

2024/10/17

Janet, J. P.; Duan, C.; Yang, T.; Nandy, A.; Kulik, H. J.* Chem. Sci. 2019, 10, 7913.

Publications

Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth–Rhodium

2024/10/17

Ren, Z.; Sunderland, T. L.; Tortoreto, C.; Yang, T.; Berry, J. F.;* Musaev, D. G.;* Davies, H. M. L.* ACS Catal. 2018, 8, 10676.

Publications

High-Valent Manganese–Oxo Valence Tautomers and the Influence of Lewis/Brönsted Acids on C–H Bond Cl

2024/10/17

Baglia, R. A.; Krest, C. M.; Yang, T.; Leeladee, P.; Goldberg, D. P.* Inorg. Chem. 2016, 55, 10800

Publications

A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex

2024/10/17

Corcos, A. R.; Pap, J. S.; Yang. T.; Berry, J. F.* J. Am. Chem. Soc. 2016, 138, 10032.

Publications

Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electr

2024/10/17

Neu, H. M.; Yang, T.; Baglia, R. A.; Yosca, T. H.; Green, M. T.; Quesne, M. G.; de Visser, S. P.;* Goldberg, D. P.* J. Am. Chem. Soc. 2014, 136, 13845.

Publications

Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of

2024/10/17

Widger, L. R.; Davies, C. G.; Yang, T.; Siegler, M. A.; Troeppner, O.; Jameson, G. N. L.;* Ivanovic-Burmazovic, I.; Goldberg, D. P.* J. Am. Chem. Soc. 2014, 136, 2699

Publications

Thioether-ligated iron(ii) and iron(iii)-hydroperoxo/alkylperoxo complexes with an H-bond donor in t

2024/10/17

Widger, L. R.; Jiang, Y.; McQuilken, A. C.; Yang, T.; Siegler, M. A.; Matsumura, H.; Moenne-Loccoz, P.;* Kumar, D.; de Visser, S. P.;* Goldberg, D. P.* Dalton Trans. 2014, 43, 7522

Publications

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a MnV–Oxo Complex

2024/10/17

Neu, H. M.; Quesne, M. G.; Yang, T.; Prokop-Prigge, K. A.; Lancaster, K. M.; Donohoe, J.; DeBeer, S.; de Visser, S. P.;* Goldberg, D. P.* Chem. Eur. J. 2014, 20, 14584

News

The Multifaceted World of Lanthanide Complexes: from Magneto-Optics to Magnetoelectrical Coupling.

2024/10/22

News

台灣新視野節目採訪自動化分子設計實驗室

2024/12/19

News

智動化分子設計實驗室聖誕餐敘

2024/12/23

Publications

Thermodynamic Assessment of Sacrificial Oxidant Potential, H2O/O2 Potential, and Rate–Overpotential

2025/03/11

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