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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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2017
1.

S. Brickel; M. Meuwly

OH-Stretching Overtone Induced Dynamics in HSO3F from Reactive Molecular Dynamics Simulations Journal Article

In: J. Phys. Chem. A, vol. 121, pp. 5079-5087, 2017.

BibTeX | Tags: Atmospheric Reactions, H, Reactive Molecular Dynamics