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4 results in Authors: Từ Nguyễn Thiên Phúc

Theoretical and Computational Chemistry

Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug Fragments

Shae-Lynn Lahey, Từ Nguyễn Thiên Phúc, Christopher Rowley

Version 2 posted 02 November 2020

899

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Organic Chemistry

Controlling Reactivity and Selectivity in the Mizoroki-Heck Reaction: High Throughput Evaluation of 1,5-Diaza-3,7-diphosphacyclooctane Ligands

Eric Isbrandt, Devon Chapple, Nguyen Thien Phuc Tu, Victoria Dimakos, Anne Marie Beardall, Paul Boyle, Christopher Rowley, Johanna Blacquiere, Stephen Newman

Version 1 posted 22 December 2023

675

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A Neural Network Potential with Rigorous Treatment of Long-Range Dispersion

Tu Nguyen Thien Phuc, Nazanin Rezajooei, Erin Johnson, Christopher Rowley

Version 2 posted 29 December 2022

847

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Theoretical and Computational Chemistry

Modeling Intermolecular Interactions With XDM Dispersion Corrections to Neural Network Potentials

Nguyen Thien Phuc Tu, Siri Williamson, Erin Johnson, Christopher Rowley

Version 1 posted 07 May 2024

140

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