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Tilting a Ground State Reactivity Landscape by Vibrational Strong Coupling

Anoop Thomas, Lucas Lethuillier-Karl, Kalaivanan Nagarajan, Robrecht M. A. Vergauwe, Jino George, Thibault Chervy, Atef Shalabney, Eloïse Devaux, Cyriaque Genet, Joseph Moran, Thomas W. Ebbesen

Version 1 posted 04 October 2018

957

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1

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Catalysis

Working Paper

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Raul Flores, Christopher Paolucci, Kirsten Winther, Ankit Jain, Jose Antonio Garrido Torres, Muratahan Aykol, Joseph H. Montoya, Jens Kehlet Nørskov, Michal Bajdich, Thomas Bligaard

Version 1 posted 06 May 2020

1,183

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Catalysis

Working Paper

Solvation at Metal/water Interfaces: An Ab Initio Molecular Dynamics Benchmark of Common Computational Approaches

Hendrik Heenen, Joseph Gauthier, Henrik Høgh Kristoffersen, Thomas Ludwig, Karen Chan

Version 1 posted 13 January 2020

758

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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

1,785

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4

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Inorganic Chemistry

Working Paper

Probing the Inverse Trans Influence in Americium and Lanthanide Tribromide Tris(tricyclohexylphosphine oxide)

Cory Windorff, Cristian Celis-Barros, Joseph Sperling, Noah Mckinnon, Thomas Albrecht-Schmitt

Version 1 posted 21 October 2019

516

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Physical Chemistry

Working Paper

Comment on “On the SN2 Reactions Modified in Vibrational Strong Coupling Experiments: Reaction Mechanisms and Vibrational Mode Assignments"

Anoop Thomas, Lucas Lethuillier-Karl, Joseph Moran, Thomas Ebbesen

Version 1 posted 25 September 2020

526

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1

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Theoretical and Computational Chemistry

Working Paper

Optical Spectra in the Condensed Phase: Capturing Anharmonic and Vibronic Features Using Dynamic and Static Approaches

Tim Zuehlsdorff, Andres Montoya-Castillo, Joseph Anthony Napoli, Thomas E. Markland, Christine Isborn

Version 1 posted 13 June 2019

533

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Biological and Medicinal Chemistry

Working Paper

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

benjamin eduful, Sean O'Byrne, Louisa Temme, Christopher R. M. Asquith, Yi Liang, Alfredo Picado, Joseph Pilotte, Carrow Wells, William Zuercher, Carolina Catta-Preta, Priscila Zonzini Ramos, André Santiago, rafael Counago, Christopher G Langendorf, Kevin Nay, Jonathan S Oakhill, Thomas L Pulliam, Chenchu Lin, Dominik Awad, Timothy M. Willson, Daniel E Frigo, John W. Scott, David Drewry

Version 1 posted 28 December 2020

496

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Chemical Engineering and Industrial Chemistry

Working Paper

Process Development and Scale-Up of the SOS1 Inhibitor MRTX0902

Thomas Scattolin, Joseph Lizza, Cheng-yi Chen

Version 1 posted 05 January 2023

776

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Inorganic Chemistry

Working Paper

Isolation of a Californium(II) Crown-Ether Complex

Todd Poe, Harry Ramanantoanina, Joseph Sperling, Hannah Wineinger, Brian Rotermund, Jacob Brannon, Zhuanling Bai, Benjamin Scheibe, Nicholas Beck, Brian Long, Samantha Justiniano, Thomas Albrecht-Schoenzart, Cristian Celis-Barros

Version 1 posted 22 June 2022

453

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38 results in Thomas Joseph in Authors: Thomas Joseph

Tilting a Ground State Reactivity Landscape by Vibrational Strong Coupling

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction

Solvation at Metal/water Interfaces: An Ab Initio Molecular Dynamics Benchmark of Common Computational Approaches

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

Probing the Inverse Trans Influence in Americium and Lanthanide Tribromide Tris(tricyclohexylphosphine oxide)

Comment on “On the SN2 Reactions Modified in Vibrational Strong Coupling Experiments: Reaction Mechanisms and Vibrational Mode Assignments"

Optical Spectra in the Condensed Phase: Capturing Anharmonic and Vibronic Features Using Dynamic and Static Approaches

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

Process Development and Scale-Up of the SOS1 Inhibitor MRTX0902

Isolation of a Californium(II) Crown-Ether Complex

38 results in Authors: Thomas Joseph