Mechanism of Ti-catalyzed oxidative nitrene transfer in [2+ 2+ 1] pyrrole synthesis from alkynes and azobenzene ZW Davis-Gilbert, X Wen, JD Goodpaster, IA Tonks Journal of the American Chemical Society 140 (23), 7267-7281, 2018 | 91 | 2018 |
Absolutely localized projection-based embedding for excited states X Wen, DS Graham, DV Chulhai, JD Goodpaster Journal of Chemical Theory and Computation 16 (1), 385-398, 2019 | 55 | 2019 |
Cp2Ti(κ2-tBuNCNtBu): A Complex with an Unusual κ2 Coordination Mode of a Heterocumulene Featuring a Free Carbene EP Beaumier, CP Gordon, RP Harkins, ME McGreal, X Wen, C Copéret, ... Journal of the American Chemical Society 142 (17), 8006-8018, 2020 | 32 | 2020 |
Iterative supervised principal component analysis driven ligand design for regioselective Ti-catalyzed pyrrole synthesis XY See, X Wen, TA Wheeler, CK Klein, JD Goodpaster, BR Reiner, ... ACS catalysis 10 (22), 13504-13517, 2020 | 22 | 2020 |
Plasmonic photocatalysis with chemically and spatially specific antenna–dual reactor complexes L Yuan, J Zhou, M Zhang, X Wen, JMP Martirez, H Robatjazi, L Zhou, ... ACS nano 16 (10), 17365-17375, 2022 | 21 | 2022 |
Robust, Accurate, and Efficient: Quantum Embedding Using the Huzinaga Level-Shift Projection Operator for Complex Systems DS Graham, X Wen, DV Chulhai, JD Goodpaster Journal of Chemical Theory and Computation 16 (4), 2284-2295, 2020 | 20 | 2020 |
Tricarabrols A–C, three anti-inflammatory sesquiterpene lactone trimers featuring a methylene-tethered linkage from Carpesium faberi J Yuan, X Wen, CQ Ke, T Zhang, L Lin, S Yao, JD Goodpaster, C Tang, ... Organic Chemistry Frontiers 7 (11), 1374-1382, 2020 | 17 | 2020 |
Mechanistic studies of bioorthogonal ATP analogues for assessment of histidine kinase autophosphorylation A Espinasse, X Wen, JD Goodpaster, EE Carlson ACS chemical biology 15 (5), 1252-1260, 2020 | 13 | 2020 |
Ti-catalyzed ring-opening oxidative amination of methylenecyclopropanes with diazenes EP Beaumier, AA Ott, X Wen, ZW Davis-Gilbert, TA Wheeler, ... Chemical Science 11 (27), 7204-7209, 2020 | 11 | 2020 |
Huzinaga projection embedding for efficient and accurate energies of systems with localized spin-densities DS Graham, X Wen, DV Chulhai, JD Goodpaster The Journal of Chemical Physics 156 (5), 2022 | 7 | 2022 |
A computational framework for neural network-based variational Monte Carlo with Forward Laplacian R Li, H Ye, D Jiang, X Wen, C Wang, Z Li, X Li, D He, J Chen, W Ren, ... Nature Machine Intelligence, 1-11, 2024 | 3 | 2024 |
Data for Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densities DS Graham, X Wen, DV Chulhai, JD Goodpaster | | 2021 |
Absolutely Localized Open-shell WF-in-DFT Huzinaga Embedding D Graham, X Wen, D Chulhai, J Goodpaster APS March Meeting Abstracts 2021, J20. 001, 2021 | | 2021 |
Projection-based Quantum Embedding for Excited States in Molecules and Solids X Wen University of Minnesota, 2020 | | 2020 |
Quantum embedding for excited states in molecular and periodic systems X Wen, D Chulhai, J Goodpaster APS March Meeting Abstracts 2019, H20. 002, 2019 | | 2019 |
Supporting Information: Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densities DS Graham, X Wen, DV Chulhai, JD Goodpaster | | |