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Michael Schauperl

5 results in Authors: Michael Schauperl

Theoretical and Computational Chemistry

Data-driven analysis of the number of Lennard-Jones types needed in a force field

Michael Schauperl, Sophie Kantonen, Lee-Ping Wang, Michael Gilson

Version 1 posted 22 May 2020

605

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Organic Chemistry

Experimental Characterization of the Association of Nine Novel Cyclodextrin Derivatives with Two Guest Compounds

Kathryn Kellett, David Slochower, Michael Schauperl, Brendan M. Duggan, Michael Gilson

Version 1 posted 17 July 2020

577

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2

Citations

Theoretical and Computational Chemistry

Force Field Partial Charges with Restrained Electrostatic Potential 2 (RESP2)

Michael Schauperl, Paul Nerenberg, Hyesu Jang, Lee-Ping Wang, Christopher I. Bayly, David Mobley, Michael Gilson

Version 1 posted 31 October 2019

1,456

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4

Citations

Theoretical and Computational Chemistry

Benchmarking Electronic Structure Methods for Accurate Fixed-Charge Electrostatic Models

Alex Zhou, Michael Schauperl, Paul Nerenberg

Version 2 posted 29 November 2019

867

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Theoretical and Computational Chemistry

A fast, convenient, polarizable electrostatic model for molecular dynamics

Liangyue Wang, Michael Schauperl, David L. Mobley, Christopher Bayly, Michael K. Gilson

Version 4 posted 10 January 2024

734

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