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Theoretical and Computational Chemistry

Working Paper

Additive energy functions have predictable landscape topologies

Brittany Story, Biswajit Sadhu, Henry Adams, Aurora Clark

Version 1 posted 29 December 2022

188

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Energy

Working Paper

Spin statistics for triplet-triplet annihilation upconversion: exchange coupling, intermolecular orientation and reverse intersystem crossing

David Bossanyi, Yoichi Sasaki, Dimitri Chekulaev, Nobuo Kimizuka, Nobuhiro Yanai, Jenny Clark

Version 1 posted 29 June 2021

757

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1

Citations

Analytical Chemistry

Working Paper

A Universal Sequencing System for Unknown Oligomers

David Doran, Emma Clarke, Graham Keenan, Emma Carrick, Cole Mathis, Leroy Cronin

Version 1 posted 09 November 2020

620

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Organic Chemistry

Working Paper

Parallel Charge-Transfer Mechanisms Allow for Diversifying the Choices for Photoredox Catalysts

Katarzyna Goliszewska, Katarzyna Rybicka-Jasińska, John A. Clark, Valentine I. Vullev, Dorota Gryko

Version 1 posted 22 July 2019

578

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1

Citations

Chemical Engineering and Industrial Chemistry

Working Paper

Molecular Dynamics and Network Analysis Reveal the Contrasting Roles of Polar Solutes Within Organic Phase Amphiphile Aggregation

Biswajit Sadhu, Aurora E. Clark

Version 3 posted 28 January 2022

501

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Inorganic Chemistry

Working Paper

Synthesis and Binding Studies of a Novel Highly Selective Ag(I) Ligand

Abiodun Aderibigbe, Andrew J. Clark

Version 1 posted 11 March 2020

941

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Energy

Working Paper

Investigating Electrode Flooding in a Flowing Electrolyte, Gas-Fed Carbon Dioxide Electrolyzer

McLain Leonard, Lauren E. Clarke, Antoni Forner-Cuenca, Steven M. Brown, Fikile Brushett

Version 2 posted 05 November 2019

1,286

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Organic Chemistry

Working Paper

Ensemble Effects of Explicit Solvation on Allylic Oxidation

Hung Le, Mariano Guagliardo, Anne Gorden, Aurora Clark

Version 2 posted 09 March 2021

365

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Analytical Chemistry

Working Paper

Isotope Depletion Mass Spectrometry (ID-MS) for Enhanced Top-Down Protein Fragmentation

Kelly J. Gallagher, Michael Palasser, Sam Hughes, C. Logan Mackay, David P. A. Kilgour, David Clarke

Version 1 posted 02 October 2018

643

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Theoretical and Computational Chemistry

Working Paper

Accurate, Automated Density Functional Theory for Complex Molecules Using On-the-fly Error Correction

Samuel Blau, Evan Walter Clark Spotte-Smith, Brandon Wood, Shyam Dwaraknath, Kristin Persson

Version 1 posted 12 October 2020

1,027

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5

Citations

Refine Search

125 results in Will Clarke in Authors: Will Clarke

Additive energy functions have predictable landscape topologies

Spin statistics for triplet-triplet annihilation upconversion: exchange coupling, intermolecular orientation and reverse intersystem crossing

A Universal Sequencing System for Unknown Oligomers

Parallel Charge-Transfer Mechanisms Allow for Diversifying the Choices for Photoredox Catalysts

Molecular Dynamics and Network Analysis Reveal the Contrasting Roles of Polar Solutes Within Organic Phase Amphiphile Aggregation

Synthesis and Binding Studies of a Novel Highly Selective Ag(I) Ligand

Investigating Electrode Flooding in a Flowing Electrolyte, Gas-Fed Carbon Dioxide Electrolyzer

Ensemble Effects of Explicit Solvation on Allylic Oxidation

Isotope Depletion Mass Spectrometry (ID-MS) for Enhanced Top-Down Protein Fragmentation

Accurate, Automated Density Functional Theory for Complex Molecules Using On-the-fly Error Correction

125 results in Authors: Will Clarke