Publications of Frank Neese

Neese, F. Quantum Chemical Approaches to Spin-Hamiltonian Parameters; Gilbert, B. C., Davies, M. B., Murphy, D. M., Eds.; Gilbert, B. C., Davies, M. B., Murphy, D. M., Series Eds.; Electron Paramagnetic Resonance, Vol. 20; The Royal Society of Chemistry: Cambridge, 2007; Vol. 20, pp 73–95.

Sinnecker, S.; Neese, F. Theoretical Bioinorganic Spectroscopy; Reiher, M., Ed.; Reiher, M., Series ed.; Topics in Current Chemistry, Vol. 268: Atomistic Approaches in Modern Biology; Springer-Verlag: Berlin, 2007; Vol. 268, pp 47–83.

Neese, F. Zero‐Field Splitting. In Calculation of NMR and EPR Parameters: Theory and Applications; Kaupp, M., Bühl, M., Malkin, V. G., Eds.; Kaupp, M., Bühl, M., Malkin, V. G., Series Eds.; Wiley-VCH Verlag GmbH & Co. KgaA: Weinheim, 2004; pp 541–564.

Neese, F. Applications to EPR in Bioinorganic Chemistry. In Calculation of NMR and EPR Parameters: Theory and Applications; Kaupp, M., Bühl, M., Malkin, V. G., Eds.; Kaupp, M., Bühl, M., Malkin, V. G., Series Eds.; Wiley-VCH Verlag GmbH & Co. KGaA: Weinheim, 2004; pp 581–591.

Neese, F.; Munzarová, M. L. Historical Aspects of EPR Parameter Calculations. In Calculation of NMR and EPR Parameters: Theory and Applications; Kaupp, M., Bühl, M., Malkin, V. G., Eds.; Kaupp, M., Bühl, M., Malkin, V. G., Series Eds.; Wiley-VCH Verlag Gmbh & Co. KGaA: Weinheim, 2004; pp 21–32.

Solomon, E. I.; Davis, M. I.; Neese, F.; Pau, M. Y. M. Variable-Temperature Variable-Field Magnetic Circular Dichroism Combined with Electron Paramagnetic Resonance: Polarizations of Electronic Transitions in Solution. In Paramagnetic Resonance of Metallobiomolecules (ACS Symposium Series 858); Telser, J., Ed.; Telser, J., Series ed.; American Chemical Society: Washington DC, 2003; pp 328–339.

Neese, F.; Solomon, E. I. Interpretation and Calculation of Spin‐Hamiltonian Parameters in Transition Metal Complexes. In Magnetism: Molecules to Materials IV: Nanosized Magnetic Materials; Miller, J. S., Drillon, M., Eds.; Miller, J. S., Drillon, M., Series Eds.; Wiley VCH Verlag GmbH & Co.. KGaA: Weinheim, 2002; pp 345–466.

Kroneck, P. M. H.; Kastrau, D. H. W.; Schumacher, W.; Hole, U. H.; Neese, F.; Zumft, W. G. Novel Binuclear Metal Centers in Cytochrome c Nitrite Reductase and Nitrous Oxide Reductase: a Spectroscopic and Molecular Orbital Study. In Bioinorganic Chemistry-Transition metals in biology and their coordination chemistry; Trautwein, A. X., Ed.; Trautwein, A. X., Series ed.; Wiley-VCH: Weinheim, 1997; pp 710–724.

Schumacher, W.; Neese, F.; Hole, U.; Kroneck, P. M. H. Cytochrome c Nitrite Reductase and Nitrous Oxide Reductase: Two Metallo Enzymes of the Nitrogen Cycle with Novel Metal Sites. In Transition Metals in Microbial Metabolism; Winkelmann, G., Carrano, C. J., Eds.; Winkelmann, G., Carrano, C. J., Series Eds.; Harwood Academic Publishers: Amsterdam, 1997; pp 329–356.

Kroneck, P. M. H.; Antholine, W. E.; Koteich, H.; Kastrau, D. H. W.; Neese, F.; Zumft, W. G. The EPR-Detectable Copper of Nitrous Oxide Reductase as a Model for Cu_A in Cytochrome c Oxidase: A Multifrequency Electron Paramagnetic Resonance Investigation. In Bioinorganic Chemistry of Copper; Karlin, K. D., Ed.; Karlin, K. D., Series ed.; Chapman and Hall, Inc.: New York, 1993; pp 419–426.

Daniel, C.; González, L.; Neese, F. Quantum Theory: The Challenge of Transition Metal Complexes. Physical Chemistry Chemical Physics. Royal Society of Chemistry: Cambridge, England January 28, 2021, pp 2533–2534.

Neese, F. MQM 2019 Introduction. Molecular Physics. Taylor & Francis: London November 16, 2020.

Meyer, F.; Neese, F. Impact of Modern Spectroscopy in Inorganic Chemistry. Inorganic Chemistry. 19th ed. American Chemical Society: Washington, DC October 5, 2020, pp 13805–13806.

Fürstner, A.; List, B.; Ritter, T.; Schüth, F.; Neese, F. Walter Thiel (1949–2019). Angewandte Chemie International Edition. Wiley-VCH: Weinheim January 20, 2020, pp 1382–1383.

Neese, F.; Lang, L.; Chilkuri, V. G. Effective Hamiltonians in Chemistry. Topology, Entanglement, and Strong Correlations. Modeling and Simulation, Vol. 10. Forschungszentrum Jülich: Jülich, Germany 2020.

Ho, L. P.; Nasr, A.; Jones, P. G.; Altun, A.; Neese, F.; Bistoni, G.; Tamm, M. Cover Feature: London Dispersion Interactions in Pnictogen Cations [ECl₂]⁺ and [E=E]²⁺ (E=P, As, Sb) Supported by Anionic N‐Heterocyclic Carbenes (Chem. Eur. J. 71/2018). Chemistry – A European Journal. Wiley-VCH: Weinheim December 17, 2018, pp 18817–18817.

Neese, F. Quantum Chemistry and EPR Parameters. emagres, The Ultimate Online Resource for NMR, EPR and MRI. John Wiley & Sons: Hoboken March 19, 2017.

Kirchner, B.; Neese, F. Theoretical Chemistry Developments: from Electronic Structure to Simulations. Physical Chemistry Chemical Physics. Royal Society of Chemistry: Cambridge, England June 14, 2015, pp 14268–14269.

Marian, C. M.; Neese, F.; Engels, B.; Grimme, S.; Perić, M. Theoretical Spectroscopy and its Impact on Experiment (in Honour of Sigrid D. Peyerimhoff). Chemical Physics. 2nd-3rd ed. Elsevier B.V.: Amsterdam January 29, 2008, pp VII-IX.