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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

1,776

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1

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Theoretical and Computational Chemistry

Working Paper

Modeling Chemical Processes in Explicit Solvents with Machine Learning Potentials

Hanwen Zhang, Veronika Juraskova, Fernanda Duarte

634

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Theoretical and Computational Chemistry

Working Paper

autodE: Automated Calculation of Reaction Energy Profiles – Application to Organic and Organometallic Reactions

Tom Young, Joseph Silcock, Alistair Sterling, Fernanda Duarte

968

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Organic Chemistry

Working Paper

Visible Light Promoted Functionalisation of Carbon-Carbon Sigma Bonds

Jeremy Nugent, Carlos Arroniz, Bethany Shire, Alistair J. Sterling, Helena D. Pickford, Marie L. J. Wong, Steven J. Mansfield, Dimitri F. J. Caputo, Benjamin Owen, James J. Mousseau, Fernanda Duarte, Edward Anderson

1,806

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Organic Chemistry

Working Paper

Catalytic Enantioselective Nucleophilic Desymmetrisation of Phosphonate Esters

Michele Formica, Tatiana Rogova, Heyao Shi, Naoto Sahara, Alistair J. M. Farley, Kirsten E. Christensen, Fernanda Duarte, Darren J. Dixon

2,438

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5

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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

906

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1

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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

421

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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

516

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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

2,423

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1

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Organic Chemistry

Working Paper

Beyond strain release: Delocalisation-enabled organic reactivity

Alistair Sterling, Russell Smith, Edward Anderson, Fernanda Duarte

1,479

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5

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19 results in Fernanda Duarte in Authors: Fernanda Duarte

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

Modeling Chemical Processes in Explicit Solvents with Machine Learning Potentials

autodE: Automated Calculation of Reaction Energy Profiles – Application to Organic and Organometallic Reactions

Visible Light Promoted Functionalisation of Carbon-Carbon Sigma Bonds

Catalytic Enantioselective Nucleophilic Desymmetrisation of Phosphonate Esters

Taming non-classical carbocations to control small ring reactivity

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

Reaction dynamics of Diels-Alder reactions from machine learned potentials

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

Beyond strain release: Delocalisation-enabled organic reactivity

19 results in Authors: Fernanda Duarte