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The Journal of Chemical Physics|July 10, 2014
Vibrational dynamics of zero-field-splitting hamiltonian in gadolinium-based MRI contrast agents from ab initio molecular dynamicsAurélie Lasoroski, Rodolphe Vuilleumier, Rodolphe PolletThe Journal of Chemical Physics|September 21, 2013
Hyperfine interactions in a gadolinium-based MRI contrast agent: high-frequency modulations from ab initio simulationsAurélie Lasoroski, Rodolphe Vuilleumier, Rodolphe PolletJournal of Chemical Theory and Computation|November 19, 2015
Analytical Harmonic Vibrational Frequencies for the Green Fluorescent Protein Computed with ONIOM: Chromophore Mode Character and Its Response to EnvironmentLee M Thompson, Aurélie Lasoroski, Paul M Champion, et al.Pageof 1