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6 results in Authors: Jacopo Lupi

Theoretical and Computational Chemistry

Reliable Gas Phase Reaction Rates at Affordable Cost by Means of the Parameter-Free junChS-F12 Model Chemistry

Vincenzo Barone, Jacopo Lupi, Zoi Salta, Nicola Tasinato

Version 1 posted 08 May 2023

183

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Theoretical and Computational Chemistry

H–Abstraction from Dimethyl Sulfide in the Presence of an Excess of Hydroxyl Radicals. A Quantum Chemical Evaluation of Thermochemical and Kinetic Parameters Unveil an Alternative Pathway to Dimethyl Sulfoxide.

Zoi Salta, Jacopo Lupi, Vincenzo Barone, Oscar Ventura

Version 1 posted 05 February 2020

557

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Theoretical and Computational Chemistry

Quantum Chemical Modelling of Hemicellulose Fast Pyrolysis: β-D-xylopyranose as a Structural Motif

Jacopo Lupi, Mark Kelly, Ailis O'Shea, Mohammad Reza Ghaani, Stephen Dooley

Version 1 posted 03 March 2023

177

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Polymer Science

Hemicellulose Pyrolysis: Mechanism and Kinetics of Functionalized Xylopyranose

Leandro Ayarde Henríquez, Jacopo Lupi, Stephen Dooley

Version 2 posted 18 December 2023

243

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Chemical Engineering and Industrial Chemistry

Evans-Polanyi-like models for rapidly predicting barriers in xylopyranoses: Accelerating the development of kinetic models for hemicellulose pyrolysis

Leandro Ayarde-Henríquez, Jacopo Lupi, Bernardo Ballotta, Stephen Dooley

Version 2 posted 27 January 2025

103

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Physical Chemistry

Xylopyranose ring‐opening by single and double proton transfers under pyrolysis conditions

Jacopo Lupi, Bernardo Ballotta, Leandro Ayarde-Henríquez, Stephen Dooley

Version 1 posted 31 January 2025

58

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