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3 results in Authors: Michael M Henry

Physical Chemistry

Konnektor: A framework for using graph theory to plan networks for free energy calculations

Benjamin Ries, Richard J Gowers, James RB Eastwood, Irfan Alibay, Hannah M Baumann, David WH Swenson, Michael M Henry, David Mobley

Version 1 posted 12 September 2024

258

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Theoretical and Computational Chemistry

Kartograf: An Accurate Geometry-Based Atom Mapper for Hybrid Topology Relative Free Energy Calculations

Benjamin Ries, Irfan Alibay, David W H Swenson, Hannah M Baumann, Michael M Henry, James RB Eastwood, Richard J Gowers

Version 1 posted 31 October 2023

313

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Inorganic Chemistry

Cooperative Adsorption of Carbon Disulfide in Diamine-Appended Metal– Organic Frameworks

C. Michael McGuirk, Rebecca L. Siegelman, Walter S. Drisdell, Tomče Runčevski, Phillip J. Milner, Julia Oktawiec, Liwen F. Wan, Gregory M. Su, Henry Z. H. Jiang, Douglas A. Reed, Miguel I. Gonzalez, David Prendergast, Jeffrey R. Long

Version 1 posted 20 September 2018

642

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