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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.

K. Darandashev; Z.-H. Xu; M. Meuwly; J. Vanicek; J. O. Richardson

Kinetic Isotope Effects and How to Describe Them Journal Article

In: Struct. Dyn., vol. 4, pp. 061501, 2017.

BibTeX | Tags: Isotope, Kinetics