Tzuhsiung (Nick) Yang
Tzuhsiung (Nick) Yang
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A quantitative uncertainty metric controls error in neural network-driven chemical discovery
JP Janet, C Duan, T Yang, A Nandy, HJ Kulik
Chemical science 10 (34), 7913-7922, 2019
Catalyst-controlled and tunable, chemoselective silver-catalyzed intermolecular nitrene transfer: Experimental and computational studies
NS Dolan, RJ Scamp, T Yang, JF Berry, JM Schomaker
Journal of the American Chemical Society 138 (44), 14658-14667, 2016
Rh2(II,III) Catalysts with Chelating Carboxylate and Carboxamidate Supports: Electronic Structure and Nitrene Transfer Reactivity
A Varela-Alvarez, T Yang, H Jennings, KP Kornecki, SN Macmillan, ...
Journal of the American Chemical Society 138 (7), 2327-2341, 2016
Singlet versus triplet reactivity in an mn (v)–oxo species: testing theoretical predictions against experimental evidence
T Yang, MG Quesne, HM Neu, FG Cantú Reinhard, DP Goldberg, ...
Journal of the American Chemical Society 138 (38), 12375-12386, 2016
Designing in the face of uncertainty: exploiting electronic structure and machine learning models for discovery in inorganic chemistry
JP Janet, F Liu, A Nandy, C Duan, T Yang, S Lin, HJ Kulik
Inorganic Chemistry 58 (16), 10592-10606, 2019
Oxygen-atom transfer reactivity of axially ligated Mn (V)–Oxo complexes: evidence for enhanced electrophilic and nucleophilic pathways
HM Neu, T Yang, RA Baglia, TH Yosca, MT Green, MG Quesne, ...
Journal of the American Chemical Society 136 (39), 13845-13852, 2014
Dramatically accelerated selective oxygen-atom transfer by a nonheme iron (IV)-oxo complex: tuning of the first and second coordination spheres
LR Widger, CG Davies, T Yang, MA Siegler, O Troeppner, GNL Jameson, ...
Journal of the American Chemical Society 136 (7), 2699-2702, 2014
Inverting steric effects: Using “attractive” noncovalent interactions to direct silver-catalyzed nitrene transfer
M Huang, T Yang, JD Paretsky, JF Berry, JM Schomaker
Journal of the American Chemical Society 139 (48), 17376-17386, 2017
Seeing is believing: Experimental spin states from machine learning model structure predictions
MG Taylor, T Yang, S Lin, A Nandy, JP Janet, C Duan, HJ Kulik
The Journal of Physical Chemistry A 124 (16), 3286-3299, 2020
High-Valent Manganese–Oxo Valence Tautomers and the Influence of Lewis/Brönsted Acids on C–H Bond Cleavage
RA Baglia, CM Krest, T Yang, P Leeladee, DP Goldberg
Inorganic chemistry 55 (20), 10800-10809, 2016
Active learning and neural network potentials accelerate molecular screening of ether-based solvate ionic liquids
W Wang, T Yang, WH Harris, R Gómez-Bombarelli
Chemical Communications 56 (63), 8920-8923, 2020
Bridging the homogeneous-heterogeneous divide: modeling spin for reactivity in single atom catalysis
F Liu, T Yang, J Yang, E Xu, A Bajaj, HJ Kulik
Frontiers in chemistry 7, 219, 2019
A synthetic oxygen atom transfer photocycle from a diruthenium oxyanion complex
AR Corcos, JS Pap, T Yang, JF Berry
Journal of the American Chemical Society 138 (31), 10032-10040, 2016
Comparison of reactivity and enantioselectivity between chiral bimetallic catalysts: bismuth–rhodium-and dirhodium-catalyzed carbene chemistry
Z Ren, TL Sunderland, C Tortoreto, T Yang, JF Berry, DG Musaev, ...
Acs Catalysis 8 (11), 10676-10682, 2018
Thioether-ligated iron (II) and iron (III)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere
LR Widger, Y Jiang, AC McQuilken, T Yang, MA Siegler, H Matsumura, ...
Dalton Transactions 43 (20), 7522-7532, 2014
Dramatic Influence of an Anionic Donor on the Oxygen‐Atom Transfer Reactivity of a MnV–Oxo Complex
HM Neu, MG Quesne, T Yang, KA Prokop‐Prigge, KM Lancaster, ...
Chemistry–A European Journal 20 (45), 14584-14588, 2014
Formation of the N≡ N Triple Bond from Reductive Coupling of a Paramagnetic Diruthenium Nitrido Compound
SV Park, AR Corcos, AN Jambor, T Yang, JF Berry
Journal of the American Chemical Society 144 (7), 3259-3268, 2022
Reusability report: Designing organic photoelectronic molecules with descriptor conditional recurrent neural networks
S Mohapatra, T Yang, R Gómez-Bombarelli
Nature Machine Intelligence 2 (12), 749-752, 2020
Numerical Nuclear Second Derivatives on a Computing Grid: Enabling and Accelerating Frequency Calculations on Complex Molecular Systems
T Yang, JF Berry
Journal of Chemical Theory and Computation 14 (7), 3459-3467, 2018
Dinuclear Cobalt Complexes for Homogeneous Water Oxidation: Tuning Rate and Overpotential through the Non‐Innocent Ligand
WC Hsu, WQ Zeng, IC Lu, T Yang, YH Wang
ChemSusChem 15 (21), e202201317, 2022
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