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4 results in Authors: David Reichman

Theoretical and Computational Chemistry

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals

Benjamin Rudshteyn, John L. Weber, Dilek Coskun, Pierre A. Devlaminck, Shiwei Zhang, David R. Reichman, James Shee, Richard A. Friesner

Version 3 posted 31 January 2022

1,139

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Theoretical and Computational Chemistry

In-Silico Prediction of Annihilators for Triplet Fusion Upconversion via Auxiliary-Field Quantum Monte Carlo

John Weber, Emily Churchill, Evan J. Arthur, Andrew Pun, Shiwei Zhang, Richard Friesner, Luis Campos, David R. Reichman, James Shee

Version 1 posted 16 June 2020

642

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Organic Chemistry

Targeted Activation in Localized Protein Environments via Deep Red Photoredox Catalysis

Nicholas Tay, Keun Ah Ryu, John Weber, Aleksandra Olow, David Reichman, Rob Oslund, Olugbeminiyi Fadeyi, Tomislav Rovis

Version 1 posted 04 October 2021

2,219

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4

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Theoretical and Computational Chemistry

On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond

James Shee, John Weber, David Reichman, Richard Friesner, Shiwei Zhang

Version 1 posted 04 November 2022

727

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