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Xuelan Wen
Xuelan Wen
Verified email at princeton.edu
Title
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Cited by
Year
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
1012018
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
642019
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
422022
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
352020
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
282020
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
212020
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
192020
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
172020
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 6 (2), 209-219, 2024
142024
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
142020
Forward laplacian: A new computational framework for neural network-based variational monte carlo
R Li, H Ye, D Jiang, X Wen, C Wang, Z Li, X Li, D He, J Chen, W Ren, ...
arXiv preprint arXiv:2307.08214, 2023
92023
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
82022
Plasmon-Driven Ammonia Decomposition on Pd (111): Hole Transfer’s Role in Changing Rate-Limiting Steps
X Wen, JMP Martirez, EA Carter
ACS Catalysis 14, 9539-9553, 2024
12024
Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions
X Wen, JN Boyn, JMP Martirez, Q Zhao, EA Carter
Journal of Chemical Theory and Computation 20 (14), 6037-6048, 2024
2024
Symmetry enforced solution of the many-body Schr\" odinger equation with deep neural network
Z Li, Z Lu, R Li, X Wen, X Li, L Wang, J Chen, W Ren
arXiv preprint arXiv:2406.01222, 2024
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
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Articles 1–20