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Showing results 43 to 62 of 87
Improving the Accuracy.pdf.jpg

Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling Factors

Author(s)Xu, Longkun; Coote, Michelle
TypeJournal article
Date Published10-Dec-2019
Date Created-

Internal Oriented Electric Fields as a Strategy for Selectively Modifying Photochemical Reactivity

Author(s)Hill, Nicholas; Coote, Michelle
TypeJournal article
Date Published2018
Date Created-

Irreproducibility in the triboelectric charging of insulators: evidence of a non-monotonic charge versus contact time relationship

Author(s)Zhang, Jinyang; Su, Chao; Rogers, Fergus, et al
TypeJournal article
Date Published28-May-2020
Date Created-
Isotactic regulation in the radical polymerization.pdf.jpg

Isotactic Regulation in the Radical Polymerization of Calcium Methacrylate: Is Multiple Chelation the Key to Stereocontrol?

Author(s)Noble, Dr Benjamin; Coote, Michelle
TypeJournal article
Date Published2020
Date Created-
Mechanical Stretching.pdf.jpg

Mechanical Stretching-Induced Electron-Transfer Reactions and Conductance Switching in Single Molecules

Author(s)Li, Yueqi; Haworth, Naomi; Xiang, Limin, et al
TypeJournal article
Date Published2017
Date Created-
iPr-paper-final.pdf.jpg

Mechanism of Oxidative Alkoxyamine Cleavage: The Surprising Role of the Solvent and Supporting Electrolyte

Author(s)Noble, Ben; Norcott, Philip; Hammill, Chelsey, et al
TypeJournal article
Date Published25-Apr-2019
Date Created-

Mechanistic Insights into Lewis Acid Mediated Sequence- and Stereo-Control in Radical Copolymerization

Author(s)Hill, Nicholas S.; Noble, Dr Benjamin; Coote, Michelle
TypeJournal article
Date Published13-Aug-2018
Date Created-

Mechanistic Insights into N-Acyloxyamine-Initiated Controlled Degradation of Polypropylene: The Unexpected Role of Keto-Enol Tautomerization in Carboxylate Radical Chemistry

Author(s)Noble, Dr Benjamin; Nesvadba, Peter; Coote, Michelle
TypeJournal article
Date Published21-Feb-2020
Date Created-
Mechanistic insights into ozone-initiated oxidative degradation.pdf.jpg

Mechanistic insights into ozone-initiated oxidative degradation of saturated hydrocarbons and polymers

Author(s)Lee, Richmond; Coote, Michelle
TypeJournal article
Date Published21-Sep-2016
Date Created-

Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

Author(s)Fang, Cheng; Pan, Xiangcheng; de Fiebre, Kurt, et al
TypeJournal article
Date Published2019
Date Created-

Mesolytic Versus Homolytic Cleavage in Photochemical Nitroxide-Mediated Polymerization

Author(s)Hill, Nicholas S.; Fule, Melinda J.; Morris, Jason, et al
TypeJournal article
Date Published26-Feb-2020
Date Created-
Revised Manuscript.pdf.jpg

Metal-Single-Molecule-Semiconductor Junctions Formed by a Radical Reaction Bridging Gold and Silicon Electrodes

Author(s)Peiris, M. Chandramalika. R.; Vogel, Yan B.; Le Brun, Anton, et al
TypeJournal article
Date Published27-Aug-2019
Date Created-
01_Pahnke_A_mild_Efficient_2016.pdf.jpg

A mild, efficient and catalyst-free thermoreversible ligation system based on dithiooxalates

Author(s)Pahnke, Kai; Haworth, Naomi L.; Brandt, Josef, et al
TypeJournal article
Date Published2016
Date Created-

Modeling Flexible Molecules in Solution: A pKa Case Study

Author(s)Haworth, Naomi; Wang, Qinrui; Coote, Michelle
TypeJournal article
Date Published2017
Date Created-
Molecular dynamics‐driven drug discovery- leaping forward with Confidence.pdf.jpg

Molecular dynamics-driven drug discovery: leaping forward with confidence

Author(s)Ganesan, Aravindhan; Coote, Michelle; Barakat, Khaled
TypeJournal article
Date Published2017
Date Created-
Molecular ‘time‐machines’ to unravel key biological events for drug design.pdf.jpg

Molecular ‘time-machines’ to unravel key biological events for drug design

Author(s)Ganesan, Aravindhan; Coote, Michelle; Barakat, Khaled
TypeJournal article
Date Published2017
Date Created-
eaaz0404.full.pdf.jpg

A multifunctional surfactant catalyst inspired by hydrolases

Author(s)Nothling, Mitchell D; Xiao, Zeyun; Hill, Nicholas S, et al
TypeJournal article
Date Published2020
Date Created-
Nitroxide-Mediated Polymerization of Vinyl Chloride at Low Temperature- Kinetic.pdf.jpg

Nitroxide-Mediated Polymerization of Vinyl Chloride at Low Temperature: Kinetic and Computational Studies

Author(s)Abreu, Carlos M. R.; Mendonça, Patrícia V.; Serra, Arménio C., et al
TypeJournal article
Date Published2016
Date Created-

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