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Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces

Jounghwan Choi, Shawn Chiu, Avishek Banerjee, Robert L. Sacci, Gabriel M. Veith, Chantal Stieber, Christopher Hahn, Anastassia N. Alexandrova, Carlos G. Morales-Guio

Version 2 posted 05 June 2024

746

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Catalysis

Working Paper

Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu

Chansol Kim, Nitish Govindarajan, Sydney Hemenway, Junho Park, Anya Zoraster, Calton Kong, Rajiv Prabhakar, Joel Varley, Hee-Tae Jung, Christopher Hahn, Joel Ager

Version 1 posted 18 December 2023

458

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Polymer Science

Working Paper

Moldable plastics (polycaprolactone) can be acutely toxic to developing zebrafish and activate nuclear receptors in mammalian cells

Bryan James, Alexander Medvedev, Sergei Makarov, Robert Nelson, Christopher Reddy, Mark Hahn

Version 1 posted 12 April 2024

215

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Theoretical and Computational Chemistry

Working Paper

Broadening the scope of binding free energy calculations using a Separated Topologies approach

Hannah M. Baumann, Eric Dybeck, Christopher Lee McClendon, Frank C. Pickard IV, Vytautas Gapsys, Laura Pérez-Benito, David F. Hahn, Gary Tresadern, Alan M. Mathiowetz, David L. Mobley

Version 1 posted 10 March 2023

932

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

Simon Boothroyd, Pavan Kumar Behara, Owen Madin, David Hahn, Hyesu Jang, Vytautas Gapsys, Jeffrey Wagner, Joshua Horton, David Dotson, Matthew Thompson, Jessica Maat, Trevor Gokey, Lee-Ping Wang, Daniel Cole, Michael Gilson, John Chodera, Christopher Bayly, Michael Shirts, David Mobley

Version 2 posted 10 January 2023

1,467

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2

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Catalysis

Working Paper

Using pH dependence to understand mechanisms in electrochemical CO reduction

Georg Kastlunger, Lei Wang, Nitish Govindarajan, Hendrik H. Heenen, Stefan Ringe, Thomas Jaramillo, Christopher Hahn, Karen Chan

Version 3 posted 03 December 2021

1,649

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1

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Polymer Science

Working Paper

Unravelling a novel mechanism in polymer self-assemblies: An order-order transition based on molecular interactions between hydrophilic and hydrophobic polymer blocks

Lukas Hahn, Theresa Zorn, Josef Kehrein, Tobias Kielholz, Anna-Lena Ziegler, Stefan Forster, Benedikt Sochor, Ekaterina S. Lisitsyna, Nikita Durandin, Timo Laaksonen, Vladimir Aseyev, Christoph Sotriffer, Maike Windbergs, Ann-Christin Pöppler, Robert Luxenhofer

Version 2 posted 31 August 2021

862

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1

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Theoretical and Computational Chemistry

Working Paper

Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields

Victoria T. Lim, David F. Hahn, Gary Tresadern, Christopher I. Bayly, David Mobley

Version 2 posted 13 August 2020

1,454

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1

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Catalysis

Working Paper

A high entropy oxide as high-activity electrocatalyst for water oxidation

Mohana V. Kante, Daniel Monteiro Cunha, Moritz L. Weber, Iris C. G. van den Bosch, Lisa Heymann, Emma van der Minne, Shu Ni, Lorenz J. Falling, Gertjan Koster, Felix Gunkel, Slavomír Nemšák, Horst Hahn, Leonardo Velasco, Christoph Baeumer

Version 1 posted 12 October 2022

594

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Catalysis

Working Paper

Investigation of the structure of atomically dispersed NiNx sites in Ni, N-doped carbon electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

David M. Koshy, Md Delowar Hossain, Ryo MASUDA, Yoshitaka Yoda, Leland B. Gee, Kabir Abiose, Huaxin Gong, Ryan C. Davis, Makoto Seto, Alessandro Gallo, Christopher Hahn, Michal Bajdich, Zhenan Bao, Thomas Jaramillo

Version 1 posted 25 April 2022

672

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13 results in Christopher Hahn in Authors: Christopher Hahn

Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces

Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu

Moldable plastics (polycaprolactone) can be acutely toxic to developing zebrafish and activate nuclear receptors in mammalian cells

Broadening the scope of binding free energy calculations using a Separated Topologies approach

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

Using pH dependence to understand mechanisms in electrochemical CO reduction

Unravelling a novel mechanism in polymer self-assemblies: An order-order transition based on molecular interactions between hydrophilic and hydrophobic polymer blocks

Benchmark Assessment of Molecular Geometries and Energies from Small Molecule Force Fields

A high entropy oxide as high-activity electrocatalyst for water oxidation

Investigation of the structure of atomically dispersed NiNx sites in Ni, N-doped carbon electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations

13 results in Authors: Christopher Hahn