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Materials Science

Working Paper

Molecular Level Understanding of the Free Energy Landscape in Early Stages of MOF Nucleation

Loukas Kollias, David C. Cantu, Marcus A. Tubbs, Roger Rousseau, Vassiliki-Alexandra Glezakou, Matteo Salvalaglio

Version 2 posted 13 March 2019

843

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Analytical Chemistry

Working Paper

Screening Antibodies Raised Against the Spike Glycoprotein of SARS-CoV-2 to Support the Development of Rapid Antigen Assays

Jason Cantera, David Cate, Allison Golden, Roger Peck, Lorraine Lillis, Gonzalo Domingo, Eileen Murphy, Bryan Barnhart, Caitlin E Anderson, Luis F Alonzo, Veronika Glukhova, Gleda Hermansky, Brianda Barrios-Lopez, Ethan Spencer, Samantha Kuhn, Zeba Islam, Benjamin Grant, Lucas Kraft, Karine Herve, Valentine de Puyraimond, Yuri Hwang, Puneet K Dewan, Bernhard H Weigl, Kevin P Nichols, David Boyle

Version 1 posted 02 September 2020

746

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2

Citations

Theoretical and Computational Chemistry

Working Paper

On the Role of Enthalpic and Entropic Contributions on the Conformational Free Energy Landscape of MIL-101(Cr) Structural Building Units

Loukas Kollias, David Cantu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Matteo Salvalaglio

Version 4 posted 13 July 2020

1,113

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Theoretical and Computational Chemistry

Working Paper

Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments

Jun-Bo Lu, David Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu, Vassiliki-Alexandra Glezakou, Roger Rousseau, Jun Li

Version 1 posted 11 January 2021

549

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Chemical Education

Working Paper

Instructor listening during lecture: A case from introductory chemistry

Lara Appleby, Julia Gouvea, Ira Caspari-Gnann, Roger Tobin, David Hammer

Version 1 posted 22 December 2023

158

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Theoretical and Computational Chemistry

Working Paper

Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors

Shayantan Chaudhuri, David Rogers, Christopher Hayes, Katherine Inzani, Jonathan Hirst

Version 1 posted 07 May 2024

47

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Inorganic Chemistry

Working Paper

[(MeCN)Ni(CF3)3]1– and [Ni(CF3)4]2– : Foundations Towards the Development of Trifluoromethylations at Unsupported Nickel

Scott T. Shreiber, Ida M. DiMucci, Mikhail Khrizanforov, Charles J. Titus, Dennis Nordlund, Yulia B. Dudkina, Roger E. Cramer, Yulia Budnikova, Kyle M. Lancaster, David Vicic

Version 1 posted 06 April 2020

653

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Theoretical and Computational Chemistry

Working Paper

The Magnetic and Electronic Structural Properties of the S3 State of Nature’s Water Oxidising Complex: A Combined Study in ELDOR-Detected Nuclear Magnetic Resonance Spectral Simulation and Broken Symmetry Density Functional Theory

Ciarán J. Rogers, Olivia Hardwick, Thomas A. Corry, Felix Rummel, David Collison, Alice M. Bowen, Patrick J. O'Malley

Version 1 posted 06 May 2022

207

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Biological and Medicinal Chemistry

Working Paper

Discovery of an MLLT1/3 YEATS Domain Chemical Probe

Moses Moustakim, Thomas Christott, Octovia P. Monteiro, James Bennett, Charline Giroud, Jennifer Ward, Catherine Rogers, Paul Smith, Ioanna Panagakou, Laura Diaz Saez, Suet Ling Felce, Vicki Gamble, Carina Gileadi, Nadia Halidi, David Heidenreich, Apirat Chaikuad, Stefan Knapp, Kilian Huber, Gillian Farnie, Jag Heer, Nenad Manevski, Gennady Poda, Rima Al-awar, Darren J. Dixon, Paul E. Brennan, Oleg Fedorov

Version 1 posted 18 September 2018

574

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Theoretical and Computational Chemistry

Working Paper

Dewar Benzenoids Discovered In Carbon Nanobelts

Magnus Hanson-Heine, David Rogers, Simon Woodward, Jonathan D Hirst

Version 1 posted 13 January 2020

384

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Refine Search

16 results in David Rogers in Authors: David Rogers

Molecular Level Understanding of the Free Energy Landscape in Early Stages of MOF Nucleation

Screening Antibodies Raised Against the Spike Glycoprotein of SARS-CoV-2 to Support the Development of Rapid Antigen Assays

On the Role of Enthalpic and Entropic Contributions on the Conformational Free Energy Landscape of MIL-101(Cr) Structural Building Units

Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments

Instructor listening during lecture: A case from introductory chemistry

Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors

[(MeCN)Ni(CF3)3]1– and [Ni(CF3)4]2– : Foundations Towards the Development of Trifluoromethylations at Unsupported Nickel

The Magnetic and Electronic Structural Properties of the S3 State of Nature’s Water Oxidising Complex: A Combined Study in ELDOR-Detected Nuclear Magnetic Resonance Spectral Simulation and Broken Symmetry Density Functional Theory

Discovery of an MLLT1/3 YEATS Domain Chemical Probe

Dewar Benzenoids Discovered In Carbon Nanobelts

16 results in Authors: David Rogers