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Roope Halonen

2 results in Authors: Roope Halonen

Theoretical and Computational Chemistry

Assessment of Anharmonicities in Clusters: Developing and Validating a Minimum-Information Partition Function

Version 2 posted 03 May 2024

192

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Theoretical and Computational Chemistry

Further cautionary tales on thermostatting in Molecular Dynamics: energy equipartitioning and non-equilibrium processes in gas-phase simulations

Roope Halonen, Ivo Neefjes, Bernhard Reischl

Version 1 posted 08 February 2023

202

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