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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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2016
1.

J. Y. Reyes; S. Brickel; O. T. Unke; T. Nagy; M. Meuwly

HSO3Cl: A Prototype Molecule for Studying OH-Stretching Overtone Induced Photodissociation Journal Article

In: PCCP, vol. 18, pp. 6780, 2016.

BibTeX | Tags: Chlorosulfuric Acid, OH-Stretching, Photodissociation