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Atomistic Simulations Computational Vibrational Spectroscopy Condensed Phase Simulations Force fields Hemoglobin Hypersonics machine learning Molecular Dynamics Molecular Simulation Multipolar Force Fields Myoglobin Nitric Oxide potential energy surfaces Proton Transfer Reactive Molecular Dynamics RKHS Spectroscopy truncated Hemoglobin vibrational relaxation Vibrational Spectroscopy

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2021
1.

M. Upadhyay; M. Meuwly

Energy Redistribution following CO2 Formation on Cold Amorphous Solid Water Journal Article

In: Frontiers Chem., vol. 9, pp. 827085, 2021.

BibTeX | Tags: CO2, Energy Redistribution, Solid-Water