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The last 5 uploaded publications
Electronic Structures of Octahedral Ni(II) Complexes with “Click” Derived Triazole Ligands: A Combined Structural, Magnetometric, Spectroscopic, and Theoretical Study
David Schweinfurth, J. Krzystek, Igor Schapiro, Serhiy Demeshko, Johannes E. M. N. Klein, Joshua Telser, Andrew Ozarowski, Cheng‐Yong Su, Franc Meyer, Mihail Atanasov, Frank Neese, Biprajit Sarkar (2013). Electronic Structures of Octahedral Ni(II) Complexes with “Click” Derived Triazole Ligands: A Combined Structural, Magnetometric, Spectroscopic, and Theoretical Study. Inorganic Chemistry, 52(12), pp. 6880-6892, DOI: 10.1021/ic3026123.
Article169 days agoFamily of V(III)-Tristhiolato Complexes Relevant to Functional Models of Vanadium Nitrogenase: Synthesis and Electronic Structure Investigations by Means of High-Frequency and -Field Electron Paramagnetic Resonance Coupled to Quantum Chemical Computations.
Shengfa Ye, Frank Neese, Andrew Ozarowski, Dmitry Smirnov, J. Krzystek, Joshua Telser, Ju‐Hsiou Liao, Chen‐Hsiung Hung, Wei-Chen Chu, Yi-Feng Tsai, Rong-Chin Wang, Kun-Yuan Chen, Hua‐Fen Hsu (2009). Family of V(III)-Tristhiolato Complexes Relevant to Functional Models of Vanadium Nitrogenase: Synthesis and Electronic Structure Investigations by Means of High-Frequency and -Field Electron Paramagnetic Resonance Coupled to Quantum Chemical Computations.. Inorganic Chemistry, 49(3), pp. 977-988, DOI: 10.1021/ic9017745.
Article169 days agoInvestigating Magnetostructural Correlations in the Pseudooctahedral <i>trans</i>-[Ni<sup>II</sup>{(OPPh<sub>2</sub>)(EPPh<sub>2</sub>)N}<sub>2</sub>(sol)<sub>2</sub>] Complexes (E = S, Se; sol = DMF, THF) by Magnetometry, HFEPR, and ab Initio Quantum Chemistry
Dimitrios Maganas, J. Krzystek, Eleftherios Ferentinos, Alexander M. Whyte, Neil Robertson, Vassilis Psycharis, Aris Terzis, Frank Neese, Panayotis Kyritsis (2012). Investigating Magnetostructural Correlations in the Pseudooctahedral <i>trans</i>-[Ni<sup>II</sup>{(OPPh<sub>2</sub>)(EPPh<sub>2</sub>)N}<sub>2</sub>(sol)<sub>2</sub>] Complexes (E = S, Se; sol = DMF, THF) by Magnetometry, HFEPR, and ab Initio Quantum Chemistry. Inorganic Chemistry, 51(13), pp. 7218-7231, DOI: 10.1021/ic300453y.
Article169 days agoDirect Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni<sup>II</sup>Se<sub>4</sub> Coordination Complex
Shang‐Da Jiang, Dimitrios Maganas, Nikolaos Levesanos, Eleftherios Ferentinos, Sabrina Haas, Komalavalli Thirunavukkuarasu, J. Krzystek, Martin Dressel, Lapo Bogani, Frank Neese, Panayotis Kyritsis (2015). Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni<sup>II</sup>Se<sub>4</sub> Coordination Complex. Journal of the American Chemical Society, 137(40), pp. 12923-12928, DOI: 10.1021/jacs.5b06716.
Article169 days agoTuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes
David Schweinfurth, J. Krzystek, Mihail Atanasov, Johannes E. M. N. Klein, Stephan Hohloch, Joshua Telser, Serhiy Demeshko, Franc Meyer, Frank Neese, Biprajit Sarkar (2017). Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes. Inorganic Chemistry, 56(9), pp. 5253-5265, DOI: 10.1021/acs.inorgchem.7b00371.
Article169 days ago