Search

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

Version 1 posted 12 August 2020

1,237

Downloads

Theoretical and Computational Chemistry

Working Paper

A Novel Automated Screening Method For Combinatorial Small Molecules

Pingshi Yu, Alistair Sterling, Jotun Hein

Version 1 posted 29 December 2020

460

Downloads

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

Version 1 posted 08 April 2019

1,917

Downloads

Organic Chemistry

Working Paper

Beyond strain release: Delocalization-enabled organic reactivity

Alistair Sterling, Russell Smith, Edward Anderson, Fernanda Duarte

Version 3 posted 13 October 2023

2,472

Downloads

Theoretical and Computational Chemistry

Working Paper

Mechanistic insights into the origins of selectivity in a Cu-catalyzed C–H amidation reaction

Alistair J. Sterling, Nicodemo R. Ciccia, Yifan Guo, John F. Hartwig, Martin Head-Gordon

Version 1 posted 08 December 2023

765

Downloads

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

Version 2 posted 07 February 2020

1,518

Downloads

Theoretical and Computational Chemistry

Working Paper

Chemical bonding and the role of node-induced electron confinement

Alistair J. Sterling, Daniel S. Levine, Abdulrahman Aldossary, Martin Head-Gordon

Version 1 posted 26 September 2023

1,131

Downloads

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

Version 2 posted 01 December 2022

1,990

Downloads

1

Citations

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

Version 1 posted 01 June 2022

2,694

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

Characterizing the interplay of 'σ-hole’ and ‘σ*' interactions in chalcogen bonding

Anthony Lara, Alistair Sterling, Abdul Aldossary, Martin Head-Gordon

Version 1 posted 03 December 2024

239

Downloads

Refine Search

10 results in Alistair Sterling in Authors: Alistair Sterling

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

A Novel Automated Screening Method For Combinatorial Small Molecules

Visible Light Promoted Functionalisation of Carbon-Carbon Sigma Bonds

Beyond strain release: Delocalization-enabled organic reactivity

Mechanistic insights into the origins of selectivity in a Cu-catalyzed C–H amidation reaction

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

Chemical bonding and the role of node-induced electron confinement

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

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

Characterizing the interplay of 'σ-hole’ and ‘σ*' interactions in chalcogen bonding

10 results in Authors: Alistair Sterling