Xuelan Wen

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 8

Top Topics

Molecular Docking

Density Functional Theory

Electron Transfer

Top Venues

Journal of chemical theory and computation

ACS chemical biology

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Xuelan Wen, Jan-Niklas Boyn, John Mark P Martirez, Qing Zhao, Emily A Carter
Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions. Journal of chemical theory and computation (2024)
Xuelan Wen, Jan-Niklas Boyn, John Mark P Martirez, Qing Zhao, Emily A Carter
Strategies to Obtain Reliable Energy Landscapes from Embedded Multireference Correlated Wavefunction Methods for Surface Reactions. Journal of chemical theory and computation 20 (14) (2024)
Evan P Beaumier, Amy A Ott, Xuelan Wen, Zachary W Davis-Gilbert, T Alexander Wheeler, Joseph J Topczewski, Jason D Goodpaster, Ian A Tonks
Ti-catalyzed ring-opening oxidative amination of methylenecyclopropanes with diazenes. Chemical science 11 (27) (2020)
Adeline Espinasse, Xuelan Wen, Jason D Goodpaster, Erin E Carlson
Mechanistic Studies of Bioorthogonal ATP Analogues for Assessment of Histidine Kinase Autophosphorylation. ACS chemical biology 15 (5) (2020)
Xin Yi See, Xuelan Wen, T Alexander Wheeler, Channing K Klein, Jason D Goodpaster, Benjamin R Reiner, Ian A Tonks
Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis. ACS catalysis 10 (22) (2020)
Evan P Beaumier, Christopher P Gordon, Robin P Harkins, Meghan E McGreal, Xuelan Wen, Christophe Copéret, Jason D Goodpaster, Ian A Tonks
Cp2Ti(κ2-tBuNCNtBu): A Complex with an Unusual κ2 Coordination Mode of a Heterocumulene Featuring a Free Carbene. Journal of the American Chemical Society 142 (17) (2020)
Daniel S Graham, Xuelan Wen, Dhabih V Chulhai, Jason D Goodpaster
Robust, Accurate, and Efficient: Quantum Embedding Using the Huzinaga Level-Shift Projection Operator for Complex Systems. Journal of chemical theory and computation 16 (4) (2020)
Xuelan Wen, Daniel S Graham, Dhabih V Chulhai, Jason D Goodpaster
Absolutely Localized Projection-Based Embedding for Excited States. Journal of chemical theory and computation 16 (1) (2019)