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Theoretical and Computational Chemistry

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Jacopo Lupi

4 results in Authors: Jacopo Lupi

Polymer Science

Hemicellulose Pyrolysis: Mechanism and Kinetics of Functionalized Xylopyranose

Leandro Ayarde Henríquez, Jacopo Lupi, Stephen Dooley

Version 2 posted 18 December 2023

195

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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

162

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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

165

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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

540

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