Thermodynamics of 5-bromouracil tautomerisation from first-principles molecular dynamics simulations (dataset)

Leo Frederick Holroyd (Creator)
Michael Buehl (Creator)
Marie-Pierre Gaigeot (Creator)
Tanja van Mourik (Creator)

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2019
Thermodynamics of 5-bromouracil tautomerisation from first-principles molecular dynamics simulations
Holroyd, L. F., Buehl, M., Gaigeot, M.-P. & van Mourik, T., 1 Jan 2019, Quantum Systems in Physics, Chemistry and Biology - Theory, Interpretation, and Results. Jenkins, S., Kirk, S., Maruani, J. & Brandas, E. (eds.). Academic Press/Elsevier , p. 109-128 (Advances of Quantum Chemistry; vol. 78).
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