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Journal of the American Chemical Society|August 1, 2017
Nucleophilic Aromatic Addition in Ionizing Environments: Observation and Analysis of New C-N Valence Bonds in Complexes between Naphthalene Radical Cation and PyridineRoberto Peverati, Sean P Platt, Isaac K Attah, et al.The Journal of Physical Chemistry Letters|May 7, 2020
Solvent Mediated Excited State Proton Transfer in Indigo CarminePartha Pratim Roy, James Shee, Eric A Arsenault, et al.Journal of the American Chemical Society|April 29, 2021
Controlled Single-Electron Transfer via Metal-Ligand Cooperativity Drives Divergent Nickel-Electrocatalyzed Radical PathwaysAnna Wuttig, Jeffrey S Derrick, Matthias Loipersberger, et al.Journal of Chemical Theory and Computation|January 21, 2025
Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Mo̷ller-Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All TermsZhenling Wang, Kevin Ikeda, Hengyuan Shen, et al.Chemical Science|June 24, 2021
Consistent inclusion of continuum solvation in energy decomposition analysis: theory and application to molecular CO2 reduction catalystsYuezhi Mao, Matthias Loipersberger, Kareesa J Kron, et al.Journal of Chemical Theory and Computation|February 8, 2024
Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine LearningJie Li, Jiashu Liang, Zhe Wang, et al.The Journal of Physical Chemistry Letters|August 12, 2015
What Is the Structure of the Naphthalene-Benzene Heterodimer Radical Cation? Binding Energy, Charge Delocalization, and Unexpected Charge-Transfer Interaction in Stacked Dimer and Trimer Radical CationsIsaac K Attah, Sean P Platt, Michael Meot-Ner Mautner, et al.The Journal of Physical Chemistry. A|February 8, 2023
Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component ContributionsAbdulrahman Aldossary, Martí Gimferrer, Yuezhi Mao, et al.Chemical Science|April 17, 2023
Caught in the act: real-time observation of the solvent response that promotes excited-state proton transfer in pyranineClaudius Hoberg, Justin J Talbot, James Shee, et al.The Journal of Physical Chemistry. A|October 18, 2019
Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2-· and Pyridine and ImidazoleMatthias Loipersberger, Joonho Lee, Yuezhi Mao, et al.Pageof 44