title: Simulation of Mn (II) EPR spectra using a full spin-Hamiltonian approach.
abstract: A full spin-Hamiltonian approach was used to calculate continuous-wave EPR spectra of Mn(II) complexes, and a comparison was made with spectra previously simulated by perturbation methods. Successful fits were performed using single values of the zero-field splitting parameter, D. The advantage of the new procedure is that it provides better fits where the magnetic field is not very large compared to zero-field splitting terms.
authors.affiliation: Department of Physiology and Biophysics of Yeshiva University, Albert Einstein College of Medicine, Bronx, New York 10461, USA.
authors.forename: A R
authors.initials: AR
authors.lastname: Coffino
authors.forename: J
authors.initials: J
authors.lastname: Peisach
mesh_terms: D000465:Algorithms; D003402:Creatine Kinase; D004578:Electron Spin Resonance Spectroscopy; D004583:Electrons; D006801:Humans; D008279:Magnetic Resonance Imaging; D008345:Manganese; D015233:Models, Statistical; D012984:Software
chemical_list: D008345:Manganese; D003402:Creatine Kinase