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Theoretical and Computational Chemistry

Working Paper

Machine-Learning Coupled Cluster Properties through a Density Tensor Representation

Benjamin Peyton, Connor Briggs, Ruhee D'Cunha, Johannes T. Margraf, Thomas Crawford

Version 1 posted 02 April 2020

676

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Materials Science

Working Paper

Modular mixing in plasmonic metal oxide nanocrystal gels with thermoreversible links

Jiho Kang, Zachary M. Sherman, Hannah S. N. Crory, Diana L. Conrad, Marina W. Berry, Benjamin J. Roman, Eric V. Anslyn, Thomas M. Truskett, Delia J. Milliron

Version 1 posted 17 October 2022

320

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2

Citations

Energy

Working Paper

Boron-Nitrogen Doped Dihydroindeno[1,2-b]fluorene Derivatives as Acceptors in Organic Solar Cells

Matthew Morgan, Maryam Nazari, Thomas Pickl, J. Mikko Rautiainen, Heikki M. Tuononen, Warren Piers, Gregory C. Welch, Benjamin S. Gelfand

Version 1 posted 01 July 2019

618

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Earth, Space, and Environmental Chemistry

Working Paper

Photochemically driven peptide formation in supersaturated aerosol droplets

Alexander Logozzo, Benjamin Vennes, Ravleen Kaur Kohli, James Davies, Durbis Castillo-Pazos, Chao-Jun Li, Catherine Neish, Thomas Preston

Version 2 posted 25 October 2023

336

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Organic Chemistry

Working Paper

Encoding stereochemical molecular information on cyclophanes using non-directional interactions and achiral building blocks

Yuan Zhang, Benjamin Ourri, Pierre-Thomas Skowron, Emeric Jeamet, Ana Belenguer, nicolas Vanthuyne, olivier cala, Pradeep Mandal, Christian Duchamp, Elise Dumont, Florent Perret, Laurent Vial, Ivan Huc, Julien Leclaire

Version 1 posted 08 October 2021

345

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Inorganic Chemistry

Working Paper

Efficient and Tunable One-Dimensional Charge Transport in Layered Lanthanide Metal-Organic Frameworks

Grigorii Skorupskii, Benjamin A. Trump, Thomas W. Kasel, Craig M. Brown, Christopher H. Hendon, Mircea Dinca

Version 1 posted 26 October 2018

1,841

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2

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Theoretical and Computational Chemistry

Working Paper

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

Daniel Smith, Lori Burns, Andrew Simmonett, Robert Parrish, Matthew Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew James, Susi Lehtola, Jonathon Misiewicz, Maximilian Scheurer, Robert Shaw, Jeffrey Schriber, Yi Xie, Zachary Glick, Dominic Sirianni, Joseph O'Brien, Jonathan Waldrop, Ashutosh Kumar, Edward G. Hohenstein, Benjamin Pritchard, Bernard Brooks, Henry Schaefer, Alexander Sokolov, Konrad Patkowski, Eugene DePrince, Ugur Bozkaya, Rollin King, Francesco Evangelista, Justin Turney, Thomas Crawford, David Sherrill

Version 1 posted 05 March 2020

1,739

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4

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Polymer Science

Working Paper

Thionolactone as Resin Additive to Prepare (bio)degradable 3D Objects via VAT Photopolymerization

Noemie Gil, Constance Thomas, Rana Mhanna, Jessica Mauriello, Romain Maury, Benjamin Leuschel, Jean-Pierre Malval, Jean-Louis Clément, Didier Gigmes, Catherine Lefay, Olivier Soppera, Yohann Guillaneuf

Version 1 posted 21 December 2021

523

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Physical Chemistry

Working Paper

Superconcentrated Electrolytes Widens Insertion Electrochemistry to Soluble Layered Halides

Nicolas Dubouis, Thomas Marchandier, Gwenaëlle Rousse, Florencia Marchini, François Fauth, Maxim Avdeev, Antonella Iadecola, Benjamin Porcheron, Michael Deschamps, Jean-Marie Tarascon, Alexis Grimaud

Version 1 posted 25 March 2021

621

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Inorganic Chemistry

Working Paper

Resonant Ta Doping for Enhanced Mobility in Transparent Conducting SnO2

Benjamin Williamson, Thomas Featherstone, Sanjayan Sathasivam, Jack Swallow, Huw Shiel, Leanne Jones, Matthew Smiles, Anna Regoutz, Tien-Lin Lee, Xueming Xia, Chris Blackman, Pardeep Thakur, Claire Carmalt, Ivan Parkin, Tim Veal, David Scanlon

Version 1 posted 29 November 2019

581

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49 results in Benjamin Thoma in Authors: Benjamin Thoma

Machine-Learning Coupled Cluster Properties through a Density Tensor Representation

Modular mixing in plasmonic metal oxide nanocrystal gels with thermoreversible links

Boron-Nitrogen Doped Dihydroindeno[1,2-b]fluorene Derivatives as Acceptors in Organic Solar Cells

Photochemically driven peptide formation in supersaturated aerosol droplets

Encoding stereochemical molecular information on cyclophanes using non-directional interactions and achiral building blocks

Efficient and Tunable One-Dimensional Charge Transport in Layered Lanthanide Metal-Organic Frameworks

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

Thionolactone as Resin Additive to Prepare (bio)degradable 3D Objects via VAT Photopolymerization

Superconcentrated Electrolytes Widens Insertion Electrochemistry to Soluble Layered Halides

Resonant Ta Doping for Enhanced Mobility in Transparent Conducting SnO2

49 results in Authors: Benjamin Thoma