Matthias Loipersberger - Dissemin

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All papers authored by Matthias Loipersberger

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2021 James Shee

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, Matthias Loipersberger

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, Martin Head-Gordon

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Regularized Second-Order Møller–Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost

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Matthias Loipersberger

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, Luke W. Bertels

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, Martin Head-Gordon

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Exploring the Limits of Second- and Third-Order Møller–Plesset Perturbation Theories for Noncovalent Interactions: Revisiting MP2.5 and Assessing the Importance of Regularization and Reference Orbitals

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James Shee

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, Matthias Loipersberger

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, Diptarka Hait

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, Martin Head-Gordon

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Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Anna Wuttig, Jeffrey S. Derrick, Matthias Loipersberger

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, Andrew Snider, Martin Head-Gordon

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, Christopher J. Chang

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, F. Dean Toste

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Controlled Single-Electron Transfer via Metal–Ligand Cooperativity Drives Divergent Nickel-Electrocatalyzed Radical Pathways

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Matthias Loipersberger

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, Delmar G. A. Cabral, Daniel B. K. Chu

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, Martin Head-Gordon

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Mechanistic Insights into Co and Fe Quaterpyridine-Based CO2 Reduction Catalysts: Metal–Ligand Orbital Interaction as the Key Driving Force for Distinct Pathways

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2020 Jeffrey S. Derrick, Matthias Loipersberger

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, Ruchira Chatterjee, Diana A. Iovan

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, Peter T. Smith, Khetpakorn Chakarawet

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, Jeffrey R. Long

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, Martin Head-Gordon

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, Christopher J. Chang

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Metal–Ligand Cooperativity via Exchange Coupling Promotes Iron- Catalyzed Electrochemical CO2 Reduction at Low Overpotentials

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Matthias Loipersberger

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, David Z. Zee, Julien A. Panetier

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, Christopher J. Chang

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, Jeffrey R. Long

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, Martin Head-Gordon

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Computational Study of an Iron(II) Polypyridine Electrocatalyst for CO2 Reduction: Key Roles for Intramolecular Interactions in CO2 Binding and Proton Transfer

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Yuezhi Mao

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, Matthias Loipersberger

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, Kareesa J. Kron

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, Jeffrey S. Derrick

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, Shaama Mallikarjun Sharada

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, Shaama Mallikarjun Sharada, Martin Head-Gordon

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Consistent Inclusion of Continuum Solvation in Energy Decomposition Analysis: Theory and Application to Molecular CO2 Reduction Catalysts

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Yuezhi Mao

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, Daniel S. Levine

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, Matthias Loipersberger

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, Paul R. Horn, Martin Head-Gordon

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Probing radical–molecule interactions with a second generation energy decomposition analysis of DFT calculations using absolutely localized molecular orbitals

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