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Theoretical and Computational Chemistry

Working Paper

Basis Set Effects in the Description of the Cl-O Bond in ClO and XClO Isomers (X=H,O,Cl) Using DFT and CCSD(T) Methods

Oscar Ventura, Kenneth Irving, Martina Kieninger

Version 1 posted 13 April 2018

894

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1

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Materials Chemistry

Working Paper

Interfacial bonding between a crystalline metal-organic framework and an inorganic glass

Celia Castillo, Ashleigh Chester, Ronan P. Cosquer, Adam Sapnik, Lucia Corti, Roman Sajzew, Bruno Poletto Rodrigues, Georgina Robertson, Daniel Irving, Lauren McHugh, Lothar Wondraczek, Frédéric Blanc, David A. Keen, Thomas D Bennett

Version 1 posted 25 April 2023

360

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Materials Science

Working Paper

Synthesis and characterisation of metal-organic framework-inorganic glass hybrid blends

Ashleigh Chester, Celia Castillo-Blas, Roman Sajzew, Bruno Rodrigues, Ruben Mas Balleste, Alicia Moya, Jessica Snelson, Sean Collins, Adam Sapnik, Georgina Robertson, Daniel Irving, Lothar Wondraczek, David Keen, Thomas Bennett

Version 1 posted 09 May 2023

264

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Analytical Chemistry

Working Paper

Gold-Aptamer-Nanoconstructs Engineered to Detect Conserved Enteroviral Nucleic Acid Sequences

Veeren Chauhan, Mohamed M Elsutohy, C Patrick McClure, Will Irving, Neil Roddis, Jonathan W Aylott

Version 1 posted 24 June 2019

946

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1

Citations

Theoretical and Computational Chemistry

Working Paper

SVECV-f12: benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers.

Oscar Ventura, Martina Kieninger, Aline Katz, Mauricio Vega-Teijido, Marc E. Segovia, Kenneth Irving

Version 2 posted 01 February 2021

623

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1

Citations

Catalysis

Working Paper

Elucidating the effects of solvent-ionomer interactions on copper catalyst layers for CO2 electrolysis to multicarbon products

Mohamed Nazmi Idros, Yuming Wu, Timothy T Duignan, Mengran LI, Hayden Cartmill, Irving Maglaya, Thomas Burdyny, Geoff GX Wang, Thomas Edward Rufford

Version 1 posted 31 January 2023

662

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Materials Chemistry

Working Paper

Modular MPS3-Based Frameworks for Superionic Conduction of Monovalent and Multivalent Ions

Zachery W. B. Iton, Zion Irving-Singh, Song-Jong Hwang, Amit Bhattacharya, Sammy Shaker, Tridip Das, Raphaële J. Clément, William A. Goddard, Kimberly A. See

Version 1 posted 08 May 2024

205

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Organometallic Chemistry

Working Paper

Variable Kinetic Isotope Effect Reveals Multi-step Pathway for Protonolysis of a Pt–Me Bond

Irving Rettig, Jingtong Xu, Elizabeth Knight, Phan Truong, Miriam Bowring

Version 2 posted 07 October 2022

329

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8 results in Will Irving in Authors: Will Irving

Basis Set Effects in the Description of the Cl-O Bond in ClO and XClO Isomers (X=H,O,Cl) Using DFT and CCSD(T) Methods

Interfacial bonding between a crystalline metal-organic framework and an inorganic glass

Synthesis and characterisation of metal-organic framework-inorganic glass hybrid blends

Gold-Aptamer-Nanoconstructs Engineered to Detect Conserved Enteroviral Nucleic Acid Sequences

SVECV-f12: benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers.

Elucidating the effects of solvent-ionomer interactions on copper catalyst layers for CO2 electrolysis to multicarbon products

Modular MPS3-Based Frameworks for Superionic Conduction of Monovalent and Multivalent Ions

Variable Kinetic Isotope Effect Reveals Multi-step Pathway for Protonolysis of a Pt–Me Bond

8 results in Authors: Will Irving