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1. O. Osters, T. Nilges, R. Weihrich, F. Bachhuber, F. Pielnhofer, M. Schöneich, P. Schmidt:
Synthese und Identifizierung metastabiler Verbindungen: Schwarzes Arsen - Fiktion oder Wirklichkeit?
Angew. Chem. 2011, accepted.

2. T. Rödl, R. Weihrich, J. Wack, J. Senker, A. Pfitzner:
Rational Syntheses and Structural Characterization of Sulfur-Rich Phosphorus Polysulfides - a-P2S7 and ß-P2S7
Angew. Chem. Int. Ed. 2011, 50, 10996-11000.  

3. F. Bachhuber, J. Rothballer, F. Pielnhofer, R. Weihrich:
First principles calculations on structure, bonding, and vibrational freqencies of SiP2
J. Chem. Phys. 2011, 135, 124508.

4. A. Biegerl, Ch. Gröger, H.R. Kalbitzer, A. Pfitzner, J. Wachter, R. Weihrich, M. Zabel:
Structures, spectroscopic studies and solid-state thermal transformations of coordination polymers from P4Se3 and CuX (X = Cl, Br, I),
J. Solid State Chem. 2011, 184, 1719-25.

5. R. Weihrich, S. F. Matar, V. Eyert, I. Anusca, F. Bachhuber, S. Seidlmayer:
Bi2Pd3S(2-x)Se(x) and the relation of Pd site ordering and the occurance of superconductivity
J. Solid State Chem. 2011, 184, 797-804.

6. F. Bachhuber, I. Anusca, J. Rothballer, F. Pielnhofer, P. Peter, R. Weihrich:
Is Tl2Ni3S2 a mixed valent compound? Crystal and electronic structure investigations.
Solid State Sci. 2011, 13, 227-343.




     

    1.            Seidlmayer, S.; Bachhuber, F.; Anusca, I.; Rothballer, J.; Bräu, M.; Peter, P.; Weihrich, R.

    Half antiperovskites: V. Systematics in ordering and group-subgroup-relations for PbPd3/2Se, BiPd3/2Se, and BiPd3/2S.

    Z Krist. (2010) 255, 371-81.

    2.            Nilges, T.; Osters, O.; Bawohl, M.; Bobet, J.-L.; Chevalier, B.; Decourt, R.; Weihrich, R.

    Reversible Property Switching, Thermoelectric Performance, and d10-d10 Interactions in Ag5Te2Cl.

    Chem Mater. (2010) 22, 2946-54, DOI: 10.1021/cm100269a.

    3.            Balazs, G.; Biegerl, A.; Groger, C.; Wachter, J.; Weihrich, R.; Zabel, M.

    Theoretical and Spectroscopic Investigation of Coordination Compounds from P4S3, Copper(I) Iodide and W(CO)5.

    Eur J Inorg Chem. (2010) 1231-1237.

    4.            Weihrich, R.; Lange, S.; Nilges, T.

    Chemical bonding and Mossbauer spectroscopic investigations on ternary polyphosphides AgSbP14, [Ag3Sn]P7 and [Au3Sn]P7.

    Solid State Sci. 11 (2009) 519-527.

    5.            Nilges, T.; Lange, S.; Bawohl, M.; Deckwart, J. M.; Janssen, M.; Wiemhofer, H. D.; Decourt, R.; Chevalier, B.; Vannahme, J.; Eckert, H.; Weihrich, R.

    Reversible switching between p- and n-type conduction in the semiconductor Ag10Te4Br3.

    Nat Mater. 8 (2009) 101-108.

    6.            Kohlmann, H.; Kurtzemann, N.; Weihrich, R.; Hansen, T.

    In situ Neutron Powder Diffraction on Intermediate Hydrides of MgPd3 in a Novel Sapphire Gas Pressure Cell.

    Z Anorg Allg Chem. 635 (2009) 2399-2405.

    7.            Holder, M.; Dedkov, Y. S.; Kade, A.; Rosner, H.; Schnelle, W.; Leithe-Jasper, A.; Weihrich, R.; Molodtsov, S. L.

    Photoemission study of electronic structure of the half-metallic ferromagnet Co3Sn2S2.

    Phys Rev B. 79 (2009) 2051161 - 2051167.

    8.            Anusca, I.; Schmid, A.; Peter, P.; Rothballer, J.; Pielnhofer, F.; Weihrich, R.

    Half Antiperovskites: IV. Crystallographic and Electronic Structure Investigations on A2Rh3S2 (A = In, Sn, Tl, Pb, Bi).

    Z Anorg Allg Chem. 635 (2009) 2410-2428.

    9.            Weikl, R.; Merz, T.; Weihrich, R.

    Ist Tl2Ni3S2 gemischt valent?

    Z Anorg Allg Chem. 634 (2008) 2088.

    10.          Merz, T.; Weikl, R.; Weihrich, R.

    Elektrische Feldgradienten für In-Lagen in In2Ni3S2 und NiIn.

    Z Anorg Allg Chem. 634 (2008) 2061.

    11.          Meier, M.; Weihrich, R.

    Ab initio simulation of the fundamental vibrational frequencies of selected pyrite-type pnictides.

    Chem Phys Lett. 461 (2008) 38-41.

    12.          Lange, S.; Bawohl, M.; Weihrich, R.; Nilges, T.

    Mineralization routes to polyphosphides: Cu2P20 and Cu5InP16.

    Angew Chem Int Edit. 47 (2008) 5654-5657.

    13.          Weihrich, R.; Matar, S. F.; Eyert, V.; Rau, F.; Zabel, M.; Andratschke, M.; Anusca, I.; Bernert, T.

    Structure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S.

    Prog Solid State Ch. 35 (2007) 309-327.

    14.          Weihrich, R.; Anusca, I.

    Halbantiperowskite II: zur Struktur des Pd3Bi2S2.

    Z Anorg Allg Chem. 632 (2006) 335.

    15.          Weihrich, R.; Anusca, I.

    Half antiperovskites. III - Crystallographic and electronic structure effects in Sn2-xInxCo3S2.

    Z Anorg Allg Chem. 632 (2006) 1531-1537.

    16.          Weihrich, R.; Anusca, I.

    Mischkristallreihen in Parkeriten.

    Z Anorg Allg Chem. 632 (2006) 2132.

    17.          Weihrich, R.

    Strukturmodellierung und Dichtetopologie.

    Z Anorg Allg Chem. 632 (2006) 2081.

    18.          Seidlmayer, S.; Weihrich, R.; Pfitzner, A.

    Synthese und Kristallstruktur von AgScP2Se6.

    Z Anorg Allg Chem. 632 (2006) 2122.

    19.          Rosner, H.; Weihrich, R.; Schnelle, W.

    Ferromagnetic ordering and halfmetallic state in a shandite: Co3Sn2S2.

    Am Phys Soc. APS Meeting, March 21-25 (2005) abstract #D9.014.

    20.          Weihrich, R.; Anusca, I.; Zabel, M.

    Halbantiperowskite: zur Struktur der Shandite und ihren Typ-Antitypbeziehungen.

    Z Anorg Allg Chem. 631 (2005) 1463.

    21.          Matar, S. F.; Weihrich, R.; Kurowski, D.; Pfitzner, A.; Eyert, V.

    Electronic structure of the antiferromagnetic semiconductor MnSb2S4.

    Phys Rev B. 71 (2005) 2350271 - 2350279.

    22.          Matar, S. F.; Subramanian, M. A.; Weihrich, R.

    Ab initio investigation of the magnetic states of Ca2MnO4 and Ca2MnO3.5.

    Chem Phys. 310 (2005) 231-238.

    23.          Weihrich, R.; Stückl, A.; Zabel, M.; Schnelle, W.

    Magnetischer Phasenübergang des Co-Shandit.

    Z Anorg Allg Chem. 630 (2004) 1767.

    24.          Weihrich, R.; Limage, M. H.; Parker, S. F.; Fillaux, F.

    Proton tunnelling in the intramolecular hydrogen bond of 9-hydroxyphenalenone.

    J Mol Struct. 700 (2004) 147-149.

    25.          Weihrich, R.; Kurowski, D.; Stuckl, A. C.; Matar, S. F.; Rau, F.; Bernert, T.

    On the ordering in new low gap semiconductors: PtSnS, PtSnSe, PtSnTe. Experimental and DFT studies.

    J Solid State Chem. 177 (2004) 2591-2599.

    26.          Weihrich, R.; Anusca, I.; Zabel, M.

    Geordnet teilbesetzte Antiperowskite.

    Z Anorg Allg Chem. 630 (2004) 1767.

    27.          Matar, S. F.; Weihrich, R.; Kurowski, D.; Pfitzner, A.

    DFT calculations on the electronic structure of CuTe2 and Cu7Te4.

    Solid State Sci. 6 (2004) 15-20.

    28.          Betranhandy, E.; Matar, S. F.; Weihrich, R.; Demazeau, G.

    Potential new candidates for hard materials within the ternary XC3N3 (X = B, Al, Ga) stoichiometry.

    Compt. Rend. Chim. 7 (2004) 529-535.

    29.          Betranhandy, E.; Matar, S. F.; El-Kfoury, C.; Weihrich, R.; Etourneau, J.

    Interplay of electronic structure and bulk properties in 2D and 3D ternary carbonitrides from first principles.

    Z Anorg Allg Chem. 630 (2004) 2587-2598.

    30.          Weihrich, R.; Matar, S. F.; Betranhandy, E.; Eyert, V.

    A model study for the breaking of N2 from CNx within DFT.

    Solid State Sci. 5 (2003) 701-703.

    31.          Weihrich, R.; Matar, S. F.; Betranhandy, E.

    In search of new candidates for ultra-hard materials: the ternary BC3N3 stoichiometry.

    J Phys Chem Solids. 64 (2003) 1539-1545.

    32.          Weihrich, R.; Eyert, V.; Matar, S. F.

    Structure and electronic properties of new model dinitride systems: a density-functional study of CN2, SiN2, and GeN2.

    Chem Phys Lett. 373 (2003) 636-641.

    33.          Stuckl, A. C.; Rau, F.; Weihrich, R.

    Charge transfer and chemical hardness along a substitution path in metastable Au-Sb alloys.

    Z Anorg Allg Chem. 629 (2003) 1812-1824.

    34.          Weihrich, R.

    Shandit, Parkerit und verwandte Verbindungen: ab initio DFT Rechnungen und experimentelle Untersuchungen zu Struktur, Stabilität und Eigenschaften.

    PhD work (Dissertation), Regensburg, 2002.

    35.          Stueckl, A. C.; Weihrich, R.; Range, K.-J.

    Topological properties and electronic structures of compounds with pyrite-type crystal structures.

    Frontiers of Solid State Chemistry. (2002) 117-124.

    36.          Weihrich, R.; Stückl, A. C.; Range, K.-J.

    Crystallographic and electronic structure of shandites M3A2S2 (A = In, Sn; M = Co, Ni).

    Book of abstracts, ECSSC, Madrid, 1999.

    37.          Weihrich, R.; Stückl, A. C.; Range, K.-J.

    Bonding and charge transfer in AuSb2, SiP2 and FeS2.

    Book of Abstracts, Applied DFT, Vienna, 2001.

    38.          Weihrich, R.

    Kristallographische und elektronische Struktur der Shandite.

    Diploma work, Regensburg, 1999.

     

Conference contributions (posters, talks) and invited talks:

  • ECSSC, Madrid (E), 1999: Elektronic and crystal structures of shandites
  • DFT2001, Wien (A), 2001: Bonding and charge transfer in AuSb2, SiP2, FeS2 - a Bader AIM charge density analysis.
  • ICTMC 13, Paris (F), 2002: Novel ultra hard B-C-N materials.
  • Angstrom Laboratoriel, Uppsala (Sweden), 2002: Ultra hard B-C-N materials.
  • MPI-CPfS, Dresden (D), 2002: Structure and bonding in ultra hard B-C-N materials.
  • Hydrogen bond meeting Berlin (D), 2003: Proton tunnelling in 9-HPLN from INS data.
  • LOCNET final meeting & NATO conference on energy localisation Erice (I), 2003: Proton dynamics in 9-HPLN from INS, IR and Raman data.
  • Sigma-Aldrich meeting on advanced materials 2004, Münster (D): Electronic and magnetic structure of half antiperovskites.
  • Hemdsärmelkolloquium Münster 2004: Structure and Ordering in PtSnS, PtSnSe, PtSnTe.
  • 12th conference of the GDCh devision for Solid State Chemistry and Material Research "Structure-Property-Relations" 2004, Marburg: Half Antiperovskites - crystal structure relations and  magnetic phase transition.
  • Hemdsärmelkolloquium, Regensburg 2005: HAP & TAP (type-antitype relations)
  • Perovskites - Properties and Potential Applications, EMPA, Dübendorf (Switzerland), September 05-07, 2005.
  • Hemdsärmelkolloquium, Kiel 2006
  • GDCh Festkörpertagung, Aachen 2006:  Magnetismus der Co-Shandite
  • MSSC 2007, Turin (I), Vibrational spectroscopy and DFT modelling
  • SCTE 2008, Dresden, HAP concept and magnetism of Sn2Co3S2
  • ECDM5 Como 2008, European charge density meeting
  • Solid State Chemistry Conference, Puerto Morelos, Mexico, 2009
  • ECSSC XII, Münster, 2009
  • CDT Gießen 2010
  • GDCh Festkörpertagung Berlin 2010
  • CDT Mainz 2011
  • MSSC 2011 Turin (I)


     
     
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