Publications by authors named "Louis P Lee"

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The ONETEP linear-scaling density functional theory program.
Joseph C A Prentice, Jolyon Aarons, James C Womack, Alice E A Allen, Lampros Andrinopoulos, Louis P Lee

J Chem Phys· May 2020

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Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms.
Louis P Lee, Nidia Gabaldon Limas, Daniel J Cole, Mike C Payne, Chris-Kriton Skylaris

J Chem Theory Comput· December 2014

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Polarized Protein-Specific Charges from Atoms-in-Molecule Electron Density Partitioning.
Louis P Lee, Daniel J Cole, Chris-Kriton Skylaris, William L Jorgensen, Mike C Payne

J Chem Theory Comput· July 2013

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Natural bond orbital analysis in the ONETEP code: applications to large protein systems.
Louis P Lee, Daniel J Cole, Mike C Payne, Chris-Kriton Skylaris

J Comput Chem· March 2013

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