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Disambiguation of "Neese, Frank"

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Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral NiIISe4 Coordination Complex

, , , , , , , , , , and . Journal of the American Chemical Society, 137 (40): 12923-12928 (September 2015)
DOI: 10.1021/jacs.5b06716

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Juhan Frank

Dr. rer. nat. Bettina Frank University of Stuttgart

Lukas Frank University of Stuttgart

Daniel Frank University of Stuttgart

apl. Prof. Dr. Frank Kern University of Stuttgart

 

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Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(iv) complexes, , , , , , and . Chem. Sci., 6 (5): 2909-2921 (2015)Efficient and automatic calculation of optical band shapes and resonance Raman spectra for larger molecules within the independent mode displaced harmonic oscillator model, and . J. Chem. Phys., 137 (23): 234107-- (December 2012)Structure of the oxygen-evolving complex of photosystem II: information on the S2 state through quantum chemical calculation of its magnetic properties, , , , , , and . Phys. Chem. Chem. Phys., 11 (31): 6788-6798 (2009)A linear cobalt(II) complex with maximal orbital angular momentum from a non-Aufbau ground state, , , , , , , , , and . Science, 362 (6421): eaat7319 (2018)QM/MM calculations with DFT for taking into account protein effects on the EPR and optical spectra of metalloproteins. Plastocyanin as a case study., and . Journal of Computational Chemistry, 27 (12): 1463-1475 (2006)A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function., , , , and . Journal of Computational Chemistry, 40 (14): 1463-1470 (2019)An improvement of the resolution of the identity approximation for the formation of the Coulomb matrix.. Journal of Computational Chemistry, 24 (14): 1740-1747 (2003)Quantum Chemistry and Mössbauer Spectroscopy, and . page 137--199. Springer Berlin Heidelberg, Berlin, Heidelberg, (2011)Magnetic and Spectroscopic Properties of Mixed Valence Manganese(III,IV) Dimers: A Systematic Study Using Broken Symmetry Density Functional Theory, , , and . Inorganic Chemistry, 48 (15): 7251--7260 (July 2009)A toolchain for the automatic generation of computer codes for correlated wavefunction calculations., , , , and . Journal of Computational Chemistry, 38 (21): 1853-1868 (2017)