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Accurate Computation of Isotropic Hyperfine Constants of Nitroxide Probes in Water
J. Chem. Theory Comput.: RESOLV researchers, led by Prof. Marx, Prof. Neese, and Prof. Kast, joined their expertise of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to accurately compute isotropic hyperfine constants of nitroxide probes in water.