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Theoretical and Computational Chemistry

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Unimolecular fragmentation

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2 results in Keywords: Unimolecular fragmentation

Theoretical and Computational Chemistry

On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations

Riccardo Spezia, Hichem Dammak

Version 2 posted 04 September 2019

774

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Theoretical and Computational Chemistry

Quantum versus Classical Unimolecular Fragmentation Rate Constants and Activation Energies at Finite Temperature from Direct Dynamics Simulations

Federica Angiolari, Simon Huppert, Riccardo Spezia

Version 2 posted 27 October 2022

224

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