Publications

Journal Article (4)

2001
Journal Article
Neese, F. Prediction of Electron Paramagnetic Resonance g Values Using Coupled Perturbed Hartree–Fock and Kohn–Sham Theory. The Journal of Chemical Physics 2001, 115, 11080–11096.
Journal Article
Grapperhaus, C. A.; Bill, E.; Weyhermüller, T.; Neese, F.; Wieghardt, K. Molecular and Electronic Structure of [MnVN(Cyclam−Acetato)]PF6. A Combined Experimental and DFT Study. Inorganic Chemistry 2001, 40, 4191–4198.
Journal Article
Neese, F. Theoretical Study of Ligand Superhyperfine Structure. Application to Cu(II) Complexes. The Journal of Physical Chemistry A 2001, 105, 4290–4299.
Journal Article
Neese, F. Configuration Interaction Calculation of Electronic g Tensors in Transition Metal Complexes. International Journal of Quantum Chemistry 2001, 83, 104–114.
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