Publikationen von Frank Neese

Atanasov, M.; Comba, P.; Daul, C. A.; Neese, F.: The Ligand-Field Paradigm-Insight into Electronic Properties of Transition-metal Complexes Based on Calculations of Electronic Structure. In: Models, Mysteries and Magic of Molecules, S. 411 - 446 (Hg. Boeyens, J. C. A.; Ogilvie, J. F.). Springer, Dordrecht, The Netherlands (2008)

Neese, F.: Quantum Chemical Approaches to Spin-Hamiltonian Parameters. In: Electron Paramagnetic Resonance, Vol. 20, Bd. 20, S. 73 - 95 (Hg. Gilbert, B. C.; Davies, M. B.; Murphy, D. M.). The Royal Society of Chemistry, Cambridge (2007)

Sinnecker, S.; Neese, F.: Theoretical Bioinorganic Spectroscopy. In: Topics in Current Chemistry, Vol. 268: Atomistic Approaches in Modern Biology, Bd. 268, S. 47 - 83 (Hg. Reiher, M.). Springer-Verlag, Berlin (2007)

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

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

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

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), S. 328 - 339 (Hg. Telser, J.). American Chemical Society, Washington DC (2003)

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, S. 345 - 466 (Hg. Miller, J. S.; Drillon, M.). Wiley VCH Verlag GmbH & Co.. KGaA, Weinheim (2002)

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, S. 710 - 724 (Hg. Trautwein, A. X.). Wiley-VCH, Weinheim (1997)

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, S. 329 - 356 (Hg. Winkelmann, G.; Carrano, C. J.). Harwood Academic Publishers, Amsterdam (1997)

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, S. 419 - 426 (Hg. Karlin, K. D.). Chapman and Hall, Inc., New York (1993)

Daniel, C.; González, L.; Neese, F.: Quantum Theory: The Challenge of Transition Metal Complexes, Physical Chemistry Chemical Physics 23, S. 2533 - 2534 (2021)

Neese, F.: MQM 2019 Introduction, Molecular Physics 118, (2020)

Meyer, F.; Neese, F.: Impact of Modern Spectroscopy in Inorganic Chemistry, Inorganic Chemistry 59 (19 Aufl.), S. 13805 - 13806 (2020)

Fürstner, A.; List, B.; Ritter, T.; Schüth, F.; Neese, F.: Walter Thiel (1949–2019), Angewandte Chemie International Edition 59, S. 1382 - 1383 (2020)

Neese, F.; Lang, L.; Chilkuri, V. G.: Effective Hamiltonians in Chemistry, Topology, Entanglement, and Strong Correlations. Modeling and Simulation, Vol. 10 10, (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 24, S. 18817 - 18817 (2018)

Neese, F.: Quantum Chemistry and EPR Parameters, emagres, The Ultimate Online Resource for NMR, EPR and MRI 6, (2017)

Kirchner, B.; Neese, F.: Theoretical chemistry developments: from electronic structure to simulations, Physical Chemistry Chemical Physics 17, S. 14268 - 14269 (2015)

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 343 (2-3 Aufl.), S. VII - IX (2008)