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5 results in Authors: Andy Jiang

Theoretical and Computational Chemistry

Linear-Scaling Local Natural Orbital-based Full Triples Treatment in Coupled-Cluster Theory

Andy Jiang, Henry Schaefer III, Justin Turney

Version 1 posted 23 December 2024

296

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An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric Michael additions to nitroalkenes

Ru Jiang, Fabrizio Casilli, Andy-Mark Thunnissen, Gerard Roelfes

Version 1 posted 21 November 2024

495

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Theoretical and Computational Chemistry

Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge

Derek Metcalf, Andy Jiang, Steven Spronk, Daniel Cheney, c. david sherrill

Version 1 posted 21 September 2020

912

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1

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Physical Chemistry

Accurate and Efficient Open-Source Implementation of Domain-Based Local Pair Natural Orbital (DLPNO) Coupled-Cluster Theory Using a t1-Transformed Hamiltonian

Andy Jiang, Zachary Glick, David Poole, Justin Turney, David Sherrill, Henry Schaefer

Version 1 posted 11 June 2024

524

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1

Citations

Theoretical and Computational Chemistry

Linear-Scaling Quadruple Excitations in Local Pair Natural Orbital Coupled-Cluster Theory

Andy Jiang, Henry Schaefer III, Justin Turney

Version 2 posted 19 March 2025

231

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