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Theoretical and Computational Chemistry

Working Paper

Reaction dynamics of Diels-Alder reactions from machine learned potentials

Tom Young, Tristan Johnston-Wood, Hanwen Zhang, Fernanda Duarte

490

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Biological and Medicinal Chemistry

Working Paper

Identification of histone peptide binding specificity and small molecule ligands for the bromodomains of TRIM33α and TRIM33β

Angelina Sekirnik, Jessica Reynolds, Larissa See, Joseph Bluck, Amy Scorah, Cynthia Tallant, Bernadette Lee, Katarzyna Leszczynska, Rachel Grimley, Ian Storer, Marta Malattia, Sara Crespillo, Sofia Caria, Stephanie Duclos, Ester Hammond, Stefan Knapp, Garrett Morris, Fernanda Duarte, Philip Biggin, Stuart Conway

376

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Organic Chemistry

Working Paper

Rationalizing the diverse reactivity of [1.1.1]propellane through sigma-pi-delocalization

Alistair Sterling, Alexander Durr, Russell C. Smith, Edward Anderson, Fernanda Duarte

1,394

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Organic Chemistry

Working Paper

Synthesis of meta-substituted arene bioisosteres from [3.1.1]propellane

Nils Frank, Jeremy Nugent, Bethany Shire, Helena Pickford, Patrick Rabe, Alistair Sterling, Tryfon Zarganes-Tzitzikas, Thomas Grimes, Amber Thompson, Russell Smith, Christopher Schofield, Paul Brennan, Fernanda Duarte, Edward Anderson

2,292

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Catalysis

Working Paper

Visible Light Photoredox-Catalyzed Decarboxylative Alkylation of 3-Aryl-Oxetanes and Azetidines via Benzylic Tertiary Radicals and Implications of Benzylic Radical Stability

Maryne A. J. Dubois, Juan J. Rojas, Alistair J. Sterling, Hannah C. Broderick, Milo A. Smith, Andrew J. P. White, Philip W. Miller, Chulho Choi, James J. Mousseau, Fernanda Duarte, James A. Bull

1,707

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Organic Chemistry

Working Paper

cgbind: A Python Module and Web App for Automated Metallocage Construction and Host-Guest Characterization

Tom A. Young, Razvan Gheorghe, Fernanda Duarte

594

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Theoretical and Computational Chemistry

Working Paper

A Transferable Active-Learning Strategy for Reactive Molecular Force Fields

Tom Young, Tristan Johnston-Wood, Volker Deringer, Fernanda Duarte

1,076

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Nanoscience

Working Paper

Bending a Photonic Wire into a Ring

Henrik Gotfredsen, Jieren Deng, Jeff Van Raden, Marcello Righetto, Janko Hergenhahn, Michael Clarke, Abigail Bellamy-Carter, Jack Hart, James O’Shea, Tim Claridge, Fernanda Duarte, Alexander Saywell, Laura Herz, Harry Anderson

715

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Organic Chemistry

Working Paper

Taming non-classical carbocations to control small ring reactivity

Ryan McNamee, Nils Frank, Kirsten Christensen, Fernanda Duarte, Edward Anderson

572

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Catalysis

Working Paper

Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored By NH···Pi Interactions

David Ascough, Fernanda Duarte, Robert Paton

627

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Refine Search

17 results in Fernanda Duarte in Authors: Fernanda Duarte

Reaction dynamics of Diels-Alder reactions from machine learned potentials

Identification of histone peptide binding specificity and small molecule ligands for the bromodomains of TRIM33α and TRIM33β

Rationalizing the diverse reactivity of [1.1.1]propellane through sigma-pi-delocalization

Synthesis of meta-substituted arene bioisosteres from [3.1.1]propellane

Visible Light Photoredox-Catalyzed Decarboxylative Alkylation of 3-Aryl-Oxetanes and Azetidines via Benzylic Tertiary Radicals and Implications of Benzylic Radical Stability

cgbind: A Python Module and Web App for Automated Metallocage Construction and Host-Guest Characterization

A Transferable Active-Learning Strategy for Reactive Molecular Force Fields

Bending a Photonic Wire into a Ring

Taming non-classical carbocations to control small ring reactivity

Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored By NH···Pi Interactions

17 results in Authors: Fernanda Duarte