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Paul Jerabek (AvH Feodor-Lynen Postdoctoral Fellow)
Research interests:
- Material Properties under Pressure
- Thermodynamics and Phase Transitions
- Computational Material Science, from Bulk to Nanoscale
- Bonding Analysis in Complexes and Cluster Compounds
- Simulation of X-ray Spectra (NEXAFS/XANES)
Publications:
- "The σ-Aromatic Clusters [Zn3]+ und [Zn2Cu]: Embryonic Brass": K. Freitag, C. Gemel, P. J., I. M. Oppel, R. W. Seidel, G. Frenking, H. Banh, K. Dilchert, R. A. Fischer, Angew. Chem. Int. Ed. 2015, 54, 4445-4449 (DOI).
- "Dizinc Cation [Zn2]2+ Trapped In A Homoleptic Metalloid Coordination Environment Stabilized by Dispersion Forces: [Zn2(GaCp*)6][BAr4F]2": K. Freitag, H. Banh, C. Gemel, P. J., R. W. Seidel, G. Frenking, R. A. Fischer, Inorg. Chem. 2014, 54, 352-358 (DOI).
- "Coinage Metals Binding as Main Group Elements: Structure and Bonding of the Carbene Complexes [TM(cAAC)2] and [TM(cAAC)2]+": P. J., H. W. Roesky, G. Bertrand, G. Frenking, J. Am. Chem. Soc. 2014, 136, 17123-17135 (DOI).
- "Hume-Rothery Phase-Inspired Metal-Rich Molecules: Cluster Expansion of [Ni(ZnMe)6(ZnCp*)2]": M. Molon, C. Gemel, P. J., L. Trombach, G. Frenking, R. A. Fischer, Inorg. Chem. 2014, 53, 10403-10411 (DOI).
- "Bonding analysis of telluroketones H2A=Te (A = C, Si, Ge)": N. B. Jaufeerally, P. Ramasami, P. J., G. Frenking, J. Mol. Mod. 2014, 20, 2433-2440 (DOI).
- "Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes": D. S. Weinberger, N. A. SK, K. C. Mondal, M. Melaimi, G. Bertrand, A. C. Stückl, H. W. Roesky, B. Dittrich, S. Demeshko, B. Schwederski, W. Kaim, P. J., G. Frenking, J. Am. Chem. Soc. 2014, 136, 6235-6238 (DOI).
- "A Novel Concept for the Synthesis of Multiply Doped Gold Clusters": A. Puls, P. J., W. Kurashige, M. Förster, M. Molon, T. Bollermann, M. Winter, C. Gemel, Y. Negishi, G. Frenking, R. A. Fischer, Angew. Chem. Int. Ed. 2014, 53, 4327-4331 (DOI).
- "Experimental Charge Density Study of a Silylone": B. Niepötter, R. Herbst-Irmer, D. Kratzert, P. P. Samuel, K. C. Mondal, H. W. Roesky, P. J., G. Frenking, D. Stalke, Angew. Chem. Int. Ed. 2014, 53, 2766-2770 (DOI).
- "Comparative bonding analysis of N2 and P2 versus tetrahedral N4 and P4": P. J., G. Frenking, Theor. Chem. Acc. 2014 133, 1447, 1-9 (DOI).
- "Nearly Degenerate Isomers of C(BH)2: Cumulene, Carbene, or Carbone?": S. R. Barua, W. D. Allen,E. Kraka, P. J., R. Sure, G. Frenking, Chem. Eur. J. 2013, 19, 15941-15954 (DOI).
- "[3+2] Fragmentation of an [RP5Cl]+ Cage Cation Induced by a N-Heterocyclic Carbene": M. H. Holthausen, S. K. Surmiak, P. J., G. Frenking, J. J. Weigand, Angew. Chem. Int. Ed. 2013, 52, 11078-11082 (DOI).
- "Structures and energies of [C4S4]q (q = +1, 0, -1) isomers. A theoretical study": P. J., G. Frenking, Int. J. Mass Spectrom. 2013, 354-355, 342-345 (DOI).
- "Isolation of Neutral Mono- and Dinuclear Gold Complexes of Cyclic (Alkyl)(amino)carbenes": D. S. Weinberger, M. Melaimi, C. E. Moore, A. L. Rheingold, G. Frenking, P. J., G. Bertrand, Angew. Chem. Int. Ed. 2013, 52, 8964-8967 (DOI). Highlight in: "24-carat chemistry": R. Doherty, Nature Chemistry 2013, 5, 728.
- "The Organozinc Rich Compounds [Cp*M(ZnR)5] (M = Fe, Ru; R = Cp*, Me, Cl, Br).": M. Molon, C. Gemel, R. W. Seidel, P. J., G. Frenking, R. A. Fischer, Inorg. Chem. 2013, 52 (12), 7152-7160 (DOI).
- "Reductive elimination: a pathway to low-valent aluminium species": C. Ganesamoorthy, S. Loerke, C. Gemel, P. J., M. Winter, G. Frenking, R. A. Fischer, Chem. Comm. 2013, 49, 2858-2860 (DOI).
- "A Crystalline Singlet Phosphinonitrene: A Nitrogen Atom-Transfer Agent": F. Dielmann, O. Back, M. Henry-Ellinger, P. J., G. Frenking, G. Bertrand, Science 2012, 337, 1526-1528 (DOI).
- "Oligonuclear Molecular Models of Intermetallic Phases": T. Bollermann, M. Molon, C. Gemel, K. Freitag, R. W. Seidel, M. Hopffgarten, P. J., G. Frenking, R. A. Fischer, Chem. Eur. J. 2012, 18, 4909-4915 (DOI).
- "Ligand-Stabilized [P4]2+-Cations": M. Donath, E. Conrad, P. J., G. Frenking, R. Fröhlich, N. Burford, J. Weigand, Angew. Chem. Int. Ed. 2012, 51, 2964-2967 (DOI).
- "Hunting Dimers": A. Y. Rogachev, P. J., S. Klein, G. Frenking, R. Hoffmann, Theor. Chem. Acc. 2012, 131, 1149 (DOI).
- "The Rich Chemistry of [Zn2Cp*2]": T. Bollermann, K. Freitag, C. Gemel, M. Molon, R. W. Seidel, M. von Hopffgarten, P. J., G. Frenking, R. A. Fischer, Inorg. Chem. 2011, 50 (20), 10486-10492 (DOI).
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