Main Content

Publications in Scientific Journals

  • Book contributions

    (2) "Quantum Chemical Investigations of Clusters of Heavy Metal Atoms"
    F. Weigend in “Structure and bonding” Springer International Publishing Switzerland 2016, DOI: 10.1007/430_2016_1

    (1) "Error-Balanced Segmented Contracted Gaussian Basis Sets: A Concept and Its Extension to the Lanthanides"
    F. Weigend in "Computational Methods in Lanthanide and Actinide Chemistry", Wiley 2015, ISBN: 978-1-118-68831-1.

  • 2023

    (169) "Synthesis and properties of cyclic sandwich compounds”
    L. Münzfeld, S. Gillhuber, A. Hauser, S. Lebedkin, P. Hädinger, N. Knöfel, C. Zovko, M. Gamer, F. Weigend, M.M. Kappes, P. W. Roesky, NATURE (2023) DOI: 10.1038/s41586-023-06192-4.

    (168) "TURBOMOLE: Today and Tomorrow”
    Y. J. Franzke,..., F. Weigend, J. CHEM. THEORY COMPUT (2023) DOI: 10.1021/acs.jctc.3c00347.

    (167) "Ferrocene-driven single-chain polymer compaction”
    S. Gillhuber, J. O. Holloway, H. Frisch, F. Feist, F. Weigend, C. Barner-Kowollik, P. Roesky, CHEM. COMM. (2023) DOI:10.1039/d3cc00736g.

    (166) "Double Addition vs. Ring Closure: Systematic Reactivity Study of CO(NCO)2 and CO(NCS)2 towards Hydrogen Halides”
    J. Pfeiffer, H. Günther, L. Völlinger, D. Botros, B. Scheibe, M. Möbs, F. Kraus, F. Weigend, F. Tambornino, CHEM. EUR. J. (2023) DOI:10.1002/chem.202203983

    (165) "Ion-Selective Assembly of Supertetrahedral Selenido Germanate Clusters for Alkali Metal Ion Capture and Separation”
    Z. Wu, F. Weigend, D. Fenske, T. Naumann, S. Dehnen, M. Gottfried, J. AM. CHEM. SOC. (2023) DOI:10.1021/jacs.2c13523.

    (164) "Fully Tin-Coated Coinage Metal Ions: A Pincer-Type Bis-stannylene Ligand for Exclusive Tetrahedral Complexation”
    F. Krätschmer, X. Sun, S. Gillhuber, H. Kucher, Y. J. Franzke, F. Weigend, P. Roesky, CHEM. EUR. J. (2023) DOI:10.1002/chem.202203583.

  • 2022

    (163) "Stimuli Responsive Silylene: Electromerism Induced Reversible Switching Between Mono- and Bis-Silylene”
    R. Yadav, X. Sun, R. Köppe, M. Gamer, F. Weigend, P. Roesky, ANGEW. CHEM. INT. ED. (2022) DOI:10.1002/anie202211115.

    (162) "Reactive Solubilization of Heterometallic Clusters by Treatment of(TrBi3)2 Anions (Tr = Ga, In, Tl) with [Mn{N(SiMe3)2}2]”
    J. Rienmüller, A. Schmidt, N. Yutronkie, R. Clerac, C. G. Werncke, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED.  (2022) DOI:10.1002/anie202210683.

    (161) "Reactive Solubilization of Heterometallic Clusters by Treatment of(TrBi3)2 Anions (Tr = Ga, In, Tl) with [Mn{N(SiMe3)2}2]”
    J. Rienmüller, A. Schmidt, N. Yutronkie, R. Clerac, C. G. Werncke, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. (2022) DOI:10.1002/anie202210683.

    (160) "Experimental and theoretical evidence for liw-lying excited states in [Cr6E8(PEt3)6](E=S, Se, Te)”
    P. Bügel, I. Krummenacher, F. Weigend, A. Eichhöfer, DALTON (2022) DOI:10.1039/d2dt01690g

    (159) "Paramagnetic NMR Shielding Tensors Based on Scalar Exact Two-Component and Spin-Orbit Perturbation Theory”
    F. Bruder, Y. J. Franzke, F. Weigend, J. PHYS. CHEM. A. (2022) DOI:10.1021/acs.jpca.2c03579

    (158) "Surprises in the Solvent-Induced Self-Ionization in the Uranium Tetrahalide UX4 (X = Cl, Br, I)/Ethyl Acetate System”
    H. L. Deubner, T. Graubner, M. R. Buchner, F. Weigend, S. I. Ivlev, A. J. Karttunen, F. Kraus, ACS OMEGA (2022) 14, 11995 – 12003.

    (157) "Metal-free N-H Bond Activation by Phospha-Wittig Reagents”
    F. Dankert, J. Siewert, P. Gupta, F. Weigend, C. Hering-Junghans , ANGEW. CHEM. INT. ED. (2022) DOI:10.1002/anie.202207064

    (156) "A Planar Five-Membered Aromatic Ring Stabilized by Only Two π-Electrons”
    O. Kysliak, S. Schreiner, N. Grabicki, P. Liebig, F. Weigend, O. Dumele, R. Kretschmer, ANGEW. CHEM. INT. ED. (2022) DOI:10.1002/anie.202200334

    (155) "[M@Sn14−xSbx]q− (M = La, Ce, or U; x = 6−8): Interaction of 4f or 5f Metal Ions with 5p Metal Atoms in Intermetalloid Clusters”
    K. Beuthert, B. Weinert, R.J.Wilson, F. Weigend, S. Dehnen, INORG. CHEM. (2022). DOI: 10.1021/acs.inorgchem.2c01298

    (154) "Electronic structure and bonding in endohedral Zintl clusters”
    J. McGrady, F. Weigend, S. Dehnen, CHEM. SOC. REV. (2022). DOI: 10.1039/d1cs00775k

  • 2021

    (153) "Introduction of plumbole to f-element chemistry”
    L. Münzfeld, S. Schlittenhardt, C. Schoo, A. Hauser, S. Gillhuber, F. Weigend, M. Ruben, P.W. Roesky, CHEMICAL SCIENCE. DOI: 10.1039/d1sc03805b.

    (152) "The Archetypal Homoleptic Lanthanide Quadruple-Decker-Synthesis, Mechanistic Studies, and Quantum Chemical Investigations ”
    L. Münzfeld, A. Hauser, P. Hädinger, F. Weigend, P. Roesky, ANGEW. CHEM. INT. ED. (2021). DOI: 10.1002/anie.202111227

    (151) "NON-Ligated N-Heterocyclic Tetrylenes”
    F. Krämer, M. Luff, U. Radius, F. Weigend, F. Breher, Eur. JIC (2021). DOI: 10.1002/ejic.202100446

    (150) "Structure and Reactivity of Alkaline Metal Bis(amido)diazadiarsetidinides”
    C. Ritter, J. Bergunde, F. Weigend, C. von Hänisch, Z. ANORG. ALLG. CHEM. (2021). DOI: 10.1002/zaac.202100214

    (149) "Tetrahedral [Sb(AuMe)4]3− Occurring in Multimetallic Cluster Syntheses: About the Structure-Directing Role of Methyl Groups”
    F. Pan, M. Lukanowski, F. Weigend, S. Dehnen ANGEW. CHEM. INT. ED. (2021). DOI: 10.1002/anie.202110526

    (148) "Paramagnetic NMR shielding tensors and ring currents: Efficient implementation and application to heavy-element compounds" 
    S. Gillhuber, Y. J. Franzke, F. Weigend, J. PHYS. CHEM. A (2921) DOI: 10.1021/acs.jpca.1c07793

    (147) "NMR Indirect Spin–Spin Coupling Constants in a Modern Quasi-Relativistic Density Functional Framework”
    Y. J. Franzke, F. Mack, F. Weigend, J. CHEM. THEOY. COMPUT. (2021). DOI: 10.1021/acs.jctc.1c00167

    (146) "Highly Soluble Supertetrahedra upon Selective Partial Butylation of Chalcogenido Metalate Clusters in Ionic Liquids”
    B. Peters, G. Stuhrmann, F. Mack, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. (2021). DOI: 10.1002/anie.202104867

    (145) "Near-Infrared Luminescence in Trinuclear Mixed-Metal Chalcogenolate Complexes of the Types [M2Ti(EPh)6(PPh3)2] (M = Cu, Ag; E = S, Se) and [Na(thf)3]2[Ti(SPh)6]”
    S. Lebedkin, F. Weigend, A. Eichhöfer, INORG. CHEM. (2021). DOI: 10.1021/acs.inorgchem.1c00829

    (144) "Reactions of ThX4 (X = F, Cl, Br, I) with Liquid Ammonia – Crystal Structures and a Theoretical Study of Ammine Thorium(IV) Halide Ammoniates”
    L. Deubner, T. Graubner, F. Weigend, A. Karttunen, F. Kraus, Eur. JIC (2021). DOI: 10.1002/ejic.202100330

    (143) "Using a Porphyrin Diacid Cation to Stabilize a Square-Pyramidal BiX5(2-) (X = Br, Cl/Br) Unit”
    B. Wagner, F. Weigend, J. Heine, INORG. CHEM. (2021). DOI: 10.1021/acs.inorgchem.1c00096

    (142) "Tracing the Jahn-Teller Distortion of C60n- in Isostructural Fullerides [M(NH3)7]C60∙NH3, M = Ba, Sr, K”
    J. Daniels, F. Weigend, M. Jansen, Z. ANORG. ALLG. CHEM. (2021). DOI: 10.1002/zaac.202000451

    (141) "Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights into Structures and Building Principles”
    U. Chakraborty, P. Bügel, L. Fritsch, F. Weigend, M. Bauer, A. J. v. Wangelin, ChemistryOpen (2021). DOI: 10.1002/open.202000307

    (140) "η 3‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)”
    F. Watt, L. Burkhardt, R. Schoch, S. Mitzinger, M. Bauer, F. Weigend, F. Tambornino, J. Goicoechea, S. Hohloch, ANGEW. CHEM. INT. ED. (2021). DOI: 10.1002/anie.202100559

    (139) "Architecting inorganic crown-ethers by s-block-metal templated Si-O bond activation”
    C. v. Hänisch, F. Dankert, R. Richter, F. Weigend, X. Xie, M. Balmer, ANGEW. CHEM. INT. ED. (2021). DOI: 10.1002/anie.2020148228

  • 2020

    (138) "A Series of Homoleptic Linear Trimethylsilylchalcogenido Cuprates, Argentates and Aurates Cat[Me 3 SiE-M-ESiMe 3] (M = Cu, Ag, Au; E = S, Se)”
    J. Guschlbauer, T. Vollgraff, X. Xie, F. Weigend, J. Sundermeyer (2020). DOI: 10.1021/acs.inorgchem.0c02808

    (137) "Nuclear Spin–Spin Couplings: Efficient Evaluation of Exact Exchange and Extension to Local Hybrid Functionals”
    F. Mack, C. Schattenberg, M. Kaupp, F. Weigend, J. PHYS. CHEM. A (2020). DOI: 10.1021/acs.jpca.0c06897

    (136) "Photochemistry with Chlorine Trifluoride: Syntheses and Characterization of Difluorooxychloronium(V) Hexafluorido(non)metallates(V), [ClOF2][MF6] (M = V, Nb, Ta, Ru, Os, Ir, P, Sb)"
    B. Scheibe, A. Karttunen, F. Weigend. F. Kraus, CHEM. EUR. J. (2020). DOI: 10.1002/chem.202003629

    (135) "Pushing the Limits of Heavy-Metal π-Aromaticity: Design and Electronic Properties of [Th@Bi12]4-"
    A. Eulenstein, Y. J. Franzke, N. Lichtenberger, R. Wilson, L. Deubner, F. Kraus, R. Clérac, F. Weigend, S. Dehnen, NAT. CHEM. (2020). DOI: 10.1038/s41467-020-18799-6.

    (134) "[K2Zn20Bi16]6–: Stabilizing a Metalloid {Zn12} Unit within a Polymetallide Environment"
    A. Eulenstein, Y. J. Franzke, P. Bügel, W. Massa, F. Weigend, S. Dehnen, NAT. COMMUN. 11, 5122 (2020). DOI: 10.1038/s41467-020-18799-6.

    (133) "Synthesis and Reactivity of Bis(silylene)‐Coordinated Calcium and Divalent Lanthanide Complexes"
    P. W. Roesky, X. Sun, T. Simler, K. Reiter, F. Weigend, CHEM. EUR. J. Accepted (2020) DOI: 10.1002/chem.202004121

    (132) "Segmented Contracted Error-Consistent Basis Sets of Quadruple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations"
    Y. J. Franzke, L. Spiske, P. Pollak, F. Weigend, J. CHEM. THEOY. COMPUT. 16, 5658-5674 (2020)
    DOI: 10.1021/acs.jctc.0c00546

     (131) "Atom Exchange Versus Reconstruction: (Gex As4−x )x − (x= 2, 3) as Building Blocks for the Supertetrahedral Zintl Cluster [Au6(Ge3As)(Ge2As2)3]3−"
    F. Pan, L. Guggolz, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. DOI: 10.1002/anie.202008108 (2020).    

    (130) "The Arachno-Zintl Ion (Sn5Sb3)(3-)and the Effects of Element Composition on the Structures of Isoelectronic Clusters: Another Facet of the Pseudo-Element Concept"
    B. Wilson, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. 10.1002/ange.202002863R1 (2020).

    (129) "Synthesis of a Molecule with Five Different Adjacent Pnictogens"
    C. v. Hänisch, C. Ritter, F. Weigend, CHEM. EUR. J. https://doi.org/10.1002/chem.202002279 (2020).

    (128) "TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations"
    S. G. Balasubrami, G. P. Chen, S. Coriani, M. Diedenhofen, M. S. Frank, Y. J. Franzke F. Furche, R. Grotjahn, C. Hättig, A. Hellweg, B. Helmich-Paris, C. Holzer, U. Huniar, M. Kaupp, A. M. Khah,, S. K. Khani, T. Müller, F. Mack,, B.D. Nguyen, S. M. Parker, E. Perlt, D. Rappoport, K. Reiter, S. Roy, M. Rückert, G. Schmitz, M. Sierka, E. Tapavicza, D. P. Tew, C. v. Wüllen, V. K. Voora, F. Weigend, A. Wodynski, J. CHEM. PHYS. 152, 184107 (2020).

    (127) "An Efficient Coupled-Perturbed Kohn Sham Implementation of NMR Chemical Shift Computations with Local Hybrid Functionals and Gauge-Including Atomic Orbitals"
    C. Schattenberg, K. Reiter, F. Weigend, M. Kaupp, J. CHEM. THEORY COMPUT. 16, 931-943 (2020).

    (126) "Preparation and luminescence properties of an M-16 heterometallic coinage metal chalcogenide cluster"
    A. Pogar, Y. J. Franzke, S. Lebedkin, F. Weigend, J. Corrigan, DALTON TRANSACTIONS, 49, 593-597 (2020).      

  • 2019

    (125) "Enhancement of and interference among higher order multipole transitions in molecules near a plasmonic nanoantenna"
    E. Rusak, J. Straubel, P. Gladysz, M. Göddel, A. Kedziorsky, M. Kühn, F. Weigend, C. Rockstuhl, K. Slowik, NAT. COMMUN. 10, 5775 (2019). 

    (124) "Low-Valent Group 14 Phosphinidenide Complexes [({SIDipp}P)(2)M] Exhibit P-M p pi-p pi Interaction (M=Ge, Sn, Pb)"
    M. Balmer, Y.J. Franzke, F. Weigend, C. von Hänisch, CHEM. EUR. J. 26, 192-197 (2019).

    (123) "Not Non-Coordinating at All: Coordination Compounds of the Cyclodimethylsiloxanes D-n (D = Me2SiO; n=6, 7) and Group 2 Metal Cations"
    F. Dankert, F. Weigend, C. von Hänisch, INORG. CHEM. 58, 15417-15422 (2019).

    (122) "Error-consistent segmented contracted all-electron relativistic basis sets of double- and triple-zeta quality for NMR shielding constants"
    Y. J. Franzke, R. Tress, T. Pazdera, F. Weigend, PHYS. CHEM. CHEM. PHYS. 21, 16658-16664 (2019).

    (121) "Magnetically Induced Current Densities in Toroidal Carbon Nanotubes"
    K. Reiter, F. Weigend, L. Wirtz, M. Dimitrova, D. Sundholm, J. PHYS. CHEM. C 123, 15354-15365 (2019).

    (120) "The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium"
    Y. Wang, A. Eichhöfer, F. Weigend, D. Fenske, O. Fuhr, DALTON TRANSACTIONS 48, 6863-6871 (2019).

    (119) "Low-Valent Group 14 NHC-Stabilized Phosphinidenide ate Complexes and NHC-Stabilized K/P-Clusters"
    M. Balmer, F. Weigend, C. von Hänisch, CHEM. EUR. J. 25, 4914-4919 (2019).

    (118) "Size Matters: From Two-Dimensional Au-I-Tl-I Metallopolymers to Molecular Complexes by Simple Variation of the Steric Demand"
    T.P. Seifert, N.D. Knoefel T.J. Feuerstein, K. Reiter, S. Lebedkin, M.T. Gamer, A.C. Boukis, F. Weigend, M.M. Kappes, P.W. Roesky, CHEM. EUR. J. 25, 3799-3808 (2019).

    (117) "Tuning the Metal/Chalcogen Composition in Copper(I)-Chalcogenide Clusters with Cyclic (Alkyl)(amino)carbene Ligands"
    A.M. Pogar, A. Zhang, F. Mack, F. Weigend, S. Lebedkin, M. J. Stillman, J. F. Corrigan, INORG. CHEM. 58, 3338-3348 (2019).

    (116) "Transition-Metal-Induced Rearrangement of [(PhSn)4S6] Towards Ternary Cu-I/Sn/S or Cu-II/Sn/S Clusters"
    E. Dornsiepen, F. Weigend. S. Dehnen, CHEM. EUR. J. 25, 2486-2490 (2019).

    (115) "NMR Shielding Tensors and Chemical Shifts in Scalar-Relativistic Local Exact Two-Component Theory"
    Y. Franzke, F. Weigend, J. CHEM. THEORY COMPUT. 15, 1028-1043 (2019).

  • 2018

    (114) "[Co@Sn6Sb6]3- : An Off-Center Endohedral 12-Vertex Cluster"
    R. J. Wilson, F. Hastreiter, K. Reiter, P. Büschelberer, R. Wolf, R. M. Gschwind, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. 57, 15359-15363 (2018).

    (113) "The Identity of "Ternary" A/Tl/Pb or K/Tl/Bi Solid Mixtures and Binary Zintl Anions Isolated From Their Solutions"
    N. Lichtenberger, Y. F. Franzke, W. Massa, F. Weigend, S, Dehnen, CHEM. EUR. J. 24, 12022-12030 (2018).

    (112) "[Hg4Te8(Te2)4]8-: A Heavy Metal Porphyrinoid Embedded in a Lamellar Structure"
    C. Donsbach, K. Reiter, D. Sundholm, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. 57, 8770-8774 (2018).

    (111) "Efficient implementation of one- and two-component analytical energy gradients in exact two-component theory"
    Y. J. Franzke, N. Middendorf, F. Weigend, J. CHEM. PHYS. 148, 104110 (2018).

    (110) "(Ge2P2)2-: a binary analogue of P4 as a precursor to the ternary cluster anion [Cd3(Ge3P)3]3"
    S. Mitzinger, J. Bandemehr, K. Reiter, J. Scott McIndoe, X. Xie, F. Weigend, J. Corrigan, S. Dehnen, CHEM. COMMUN. 54, 1421-1424 (2018).

    (109) "Calculation of Magnetic Shielding Constants with meta-GGA Functionals Employing the Multipole-Accelerated Resolution of the Identity: Implementation and Assessment of Accuracy and Efficiency."
    K. Reiter, F. Mack, F. Weigend, J. CHEM. THEORY COMPUT. 14, 191-197 (2018).

  • 2017

    (108) "A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties"
    A. Polgar, F. Weigend, A. Zhang, M. Stillman, J. Corrigan, J. AM. CHEM. SOC. 139, 14045-14048 (2017).

    (107) "Bis(6-methylene-2,2'-bipyridine)phenylphosphine-A Flexible Ligand for the Construction of Trinuclear Coinage-Metal Complexes"
    S. Schäfer, M. Gamer, S. Lebedkin, F. Weigend, M. Kappes, P. Roesky, CHEM. EUR. J. 23, 12108-12209 (2017).

    (106) "Synthesis and Optical Properties of [Cu6E6(SnPh)2(PPh2Et)6] (E = S, Se, Te) Cluster Molecules"
    A. Eichhöfer, M. Kühn, S. Lebedkin, M. Kehry, M. M. Kappes, F. Weigend, INORG. CHEM. 56, 9330-9336 (2017).

    (105) "Segmented Contracted Error-Consistent Basis Sets of Double- and Triple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations"
    P. Pollak, F. Weigend, J. CHEM. THEORY COMPUT. 13, 3696-3705 (2017).

    (104) "An NHC-phosphinidenyl as a synthon for new group 13/15 compounds."
    O. Lemp, M. Balmer, K. Reiter, F. Weigend, C. v. Hänisch, CHEM. COMM. 53, 7620-7623 (2017).

    (103) "Calculations of current densities and aromatic pathways in cyclic porphyrin and isoporphyrin arrays"
    Y. Franzke D. Sundholm, F. Weigend, PHYS. CHEM. CHEM. PHYS.19, 12794-12803 (2017).

    (102) "Synthesis And Reactivity of NHC stabilized Fe (II) Mesityl Complexes"
    H. Schneider, D. Schmidt, A. Eichhöfer, M. Radius, F. Weigend, U. Radius, EUR. J. INORG. CHEM. 19, 2600-2616 (2017).

    (101) "A combined experimental and quantum chemical study on thallium(I) tris(pyrazolyl)methanide"
    I. Kuzu, A. Baldes, F. Weigend, F. Breher, POLYHEDRON 125, 74-29 (2017).

    (100) "Vibrational circular dichroism spectra for large molecules and molecules with heavy elements"
    K. Reiter, M. Kühn, F. Weigend, J. CHEM. PHYS. 146, 054102 (2017).

    (99) "The chemical space of PbN−nBin and (PbN−nBin)+: A systematic study for N = 3–13"
    C. Seifried, L. Longo, P. Pollak, F. Weigend, J. CHEM. PHYS. 146, 034304 (2017).

    (98) "Coinage Metal Complexes of Bis-Alkynyl-Functionalized N-Heterocyclic Carbenes: Reactivity, Photophysical Properties and Quantum Chemical Investigations"
    P. Roesky, C. Kiefer, S. Bestgen, M. Gamer, M. Kühn, S. Lebedkin, F. Weigend, M.M. Kappes, CHEM. EUR. J. 23, 1591-1603 (2017).

    (97) "Coinage Metal Complexes of Bis-Alkynyl-Functionalized N-Heterocyclic Carbenes: Reactivity, Photophysical Properties and Quantum Chemical Investigations"
    P. Roesky, C. Kiefer, S. Bestgen, M. Gamer, M. Kühn, S. Lebedkin, F. Weigend, M.M. Kappes, CHEM. EUR. J. 23, 1591-1603 (2017).

  • 2016

    (96) "A Controlled Route to A Luminescent 3d10-5d10 Sulfido Cluster Containing Unique AuCu2(μ3-S) Motifs"
    A. M. Polgar, C. B. Khadka, M. Azizpoor Fard, B. Nikkel, T. O’Donnell, T. Neumann, K. Lahring, K. Thompson, C. Cadogan, F. Weigend, J. F. Corrigan, CHEM. EUR. J. 22, 18378–18382 (2016).

    (95) "{[CuSn₅Sb₃]²⁻}₂: A Dimer of Inhomogeneous Superatoms."
    R. Wilson, L. Broeckaert, F. Spitzer, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. 55, 11775-11780 (2016).

    (94) "Main Group Metal-Actinide Magnetic Coupling and Structural Response Upon U4+ Inclusion into Bi, Tl/Bi, or Pb/Bi Cages"
    N. Lichtenberger, R. Wilson, A. Eulenstein, W. Massa, R. Clérac, F. Weigend, S. Dehnen, J. AM. CHEM. SOC. 138, 9033-9036 (2016).

    (93) "Quasi-particle self-consistent GW for molecules"
    F. Kaplan, M. Harding, C. Seiler, F. Evers, F. Weigend, M. v. Setten, J. CHEM. THEORY COMPUT, 12, 2528-2541 (2016).

    (92) "Enhancing electrochemoluminescence of chalcogenide clusters by means of Mn replacement"
    M. Hesari, J. Turnbull, C. Khadka, F. Weigend, J. Corrigan, ELECTROCHIM. ACTA 210, 79-86 (2016).

    (91) "Understanding multimetallic cluster growth "
    S. Mitzinger, L. Broeckaert, W. Massa, F. Weigend, S. Dehnen, NATURE COMMUNICATIONS 7, 10480 (2016).

  • 2015

    (90) "GW100: Benchmarking G0W0 for Molecular Systems"
    M. van Setten, F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J. Deslippe, S. Louie, C. Yang, F. Weigend, J. Neaton, F. Evers, P. Rinke, J. CHEM. THEORY COMPUT.  11, 5665–5687 (2015).

    (89) "Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on Ionization Potentials"
    F. Kaplan, F. Weigend, F. Evers, M. J. van Setten, J. CHEM. THEORY COMPUT.  11, 5152–5160 (2015).

    (88) "{μ-PbSe}: A heavy CO homologue as an unexpected ligand."
    G. Thiele, Y. Franzke, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. 54, 11283-11288 (2015).

    (87) "Luminescence in phosphine-stabilized copper chalcogenide cluster molecules - A comparative study."
    A. Eichhöfer, G. Buth, S. Lebedkin, M. Kühn, F. Weigend, INORG. CHEM. 54, 9413-9422 (2015).

    (86) "Simple but effective: thermally stable Cu–ESiMe3 via NHC ligation"
    M. A. Fard, F. Weigend, J. F. Corrigan, CHEM. COMM. 51, 8361-8364 (2015)

    (85) "[(Pb6I8){Mn(CO)5}6]2-: An Octahedral (M6X8)-like Cluster with Inverted Bonding"
    S. Wolf, K. Reiter, F. Weigend, W. Klopper, C. Feldmann, INORG. CHEM. 54, 3989-3994 (2015).

    (84) "One-Electron Energies from the Two-Component GW Method"
    M. Kühn, F. Weigend, J. CHEM. THEORY COMPUT.  11, 969–979 (2015).

    (83) "[V@Ge8As4]3- and [Nb@Ge8As6]3-: encapsulation of electron-poor transition metal atoms"
    S. Mitzinger, L. Broeckaert, W. Massa, F. Weigend, S. Dehnen, CHEM. COMM. 51, 3866-3869 (2015).

    (82) "Two-component hybrid time-dependent density functional theory within the Tamm-Dancoff approximation"
    M. Kühn, F. Weigend, J. CHEM. PHYS. 142, 034116 (2015).

    (81) "Ionic-Radius-Driven Selection of the Main-Group-Metal Cage for Intermetalloid Clusters [Ln@PbxBi14−x]q− and [Ln@PbyBi13−y]q− (x/q=7/4, 6/3; y/q=4/4, 3/3)"
    R.  Ababei, W. Massa, B. Weinert, P. Pollak, X. Xie, R. Clérac , F. Weigend, S. Dehnen, CHEM. EUR. J. 21, 386-394 (2015).

  • until 2014

    (80) "Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theory"
    M. Kühn, F. Weigend, J. CHEM. PHYS. 141, 224302 (2014).

    (79) "Extending DFT-based genetic algorithms by atom-to-place re-assignment via perturbation theory: A systematic and unbiased approach to structures of mixed-metallic clusters"
    F. Weigend, J. CHEM. PHYS. 141, 134103 (2014).

    (78) "Superatomic Orbitals under Spin-Orbit Coupling"
    D. Jiang, M. Kühn, Q. Tang, F. Weigend, J. CHEM. PHYS. LETT. 5, 3286-3289 (2014).

    (77) "Red-luminescent biphosphine stabilized 'Cu12S6' cluster molecules"
    X. Yang, I.  Issac, S. Lebedkin, M. Kühn, F. Weigend, D. Fenske, O. Fuhr, A. Eichhöfer, CHEM. COMM. 50, 11043-11045 (2014).

    (76) "Turbomole"
    F. Furche, R. Ahlrichs, C. Hättig, W. Klopper, M. Sierka, F.Weigend, WIREs COMPUT. MOL. SCI., 4, 91-100 (2014).

    (75) "Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe(II) and Co(II) Bis(trimethylsilyl)amido Complexes-A Comparative Study"
    A. Eichhöfer, Y. H. Lan, V. Mereacre, T. Bodenstein, F. Weigend, INORG. CHEM. 53, 1962-1974 (2014).

    (74) "Reduction of rhenates(VII) with hydrogen chloride in alcohols: The structural aspects of the trans-tetrachloridomethoxidooxidorhenate(VI) products"
    M. Holynska, S. Dehnen, F. Weigend, T. Lis, INORG. CHIM. ACTA. 411, 26-29 (2014).

    (73) "Influence of vibrations on electron transport through nanoscale contact"
    M. Bürkle, J. K. Viljas, T. J. Hellmuth, E. Scheer, F. Weigend, G. Schön, F. Pauly, PHYS. STATUS SOLIDI B 250, 2468-2480 (2013).

    (72) "Implementation of Two-Component Time-Dependent Density Functional Theory in TURBOMOLE"
    M. Kühn, F. Weigend, J. CHEM. THEORY COMPUT. 9, 5341-5348 (2013)

    (71) "Unusual 14-Electron Fragments as Pseudo Lead Atoms in closo-[Pd@Pd2Pb10Bi6]4-"
    R. Ababei, W. Massa, K. Harms, X. Xie, F. Weigend, S. Dehnen, ANGEW. CHEM. INT. ED. 52, 13544-13548 (2013).

    (70) "Efficient two-component self-consistent field procedures and gradients: implementation in TURBOMOLE and application to Au20-"
    A. Baldes, F. Weigend, MOL. PHYS. 111, 2617-2624 (2013).

    (69) "An efficient implementation of two-component relativistic exact-decoupling methods for large molecules"
    D. Peng, N. Middendorf, F. Weigend, M. Reiher, J. CHEM. PHYS.  138, 184105 (2013).

    (68) "The GW-Method for Quantum Chemistry Applications: Theory and Implementation"
    M. J. van Setten, F. Weigend, F. Evers, J. CHEM. THEORY COMPUT. 9, 232-246 (2013).

    (67) "Making practical use of the pseudo-element concept: an efficient way to ternary intermetalloid clusters by anisoelectronic Pb_–Bi combination"
    R. Ababei, J. Heine, M. Holynska, G. Thiele, B. Weinert, X. Xie, F. Weigend, S. Dehnen, CHEM. COMM., 48, 11295-11297 (2012).

    (66) "Error-balanced segmented contracted basis sets of double zeta to quadruple zeta valence quality for the lanthanides"
    R. Gulde, P. Pollak, F. Weigend, J. CHEM. THEORY COMPUT. 8, 4062-4068 (2012).

    (65) "Subtle Impact of Atomic Ratio, Charge and Lewis Basicity on structure Selectrion ans Stability: The Ternary Anion {[La@In2Bi11](μ-Bi)2[La@In2Bi11]}6-"
    B. Weinert, F. Weigend, S. Dehnen, CHEM. EUR. J. 18, 13589-13595 (2012).

    (64) "Probing the Influence of Size and Composition on the Photoelectron Spectra of Cadmium Chalcogenide ClusterDianions"
    K. Matheis, A. Eichhöfer,F. Weigend, O. Hampe, M. M. Kappes, J. PHYS. CHEM. C 116, 13800-13809 (2012).

    (63) "Structures of small bismuth cluster cations"
    R. Kelting, A. Baldes, U. Schwarz, T. Rapps, D. Schooss, P. Weis, C. Neiss, F. Weigend, M. M. Kappes, J. CHEM. PHYS. 136, 154309 (2012).

    (62) "Seminumerical calculation of the Hartree-Fock exchange matrix: Application to two-component procedures and efficient evaluation of local hybrid density functionals"
    P. Plessow, F. Weigend, J. COMPUT. CHEM. 33, 810-816 (2012).

    (61) "Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters"
    B. Khadka Chhatra, A. Eichhöfer, F. Weigend, J. Corrigan, INORG. CHEM. 51, 2747-56 (2012).

    (60) "Doped semimetal clusters: ternary, intermetalloid anions [Ln@Sn7Bi7]4- and [Ln@Sn4Bi9]4- (Ln = La, Ce) with adjustable magnetic properties"
    F. Lips, M. Holynska, R. Clerac, F. Weigend. S. Dehnen, J. AM. CHEM. SOC. 134, 1181-91 (2012).

    (59) "Phosphorescence Energies of Organic Light-Emitting Diodes from Spin-Flip Tamm-Dancoff Approximation Time-Dependent Density Functional Theory"
    M. Kühn, F. Weigend, CHEMPHYSCHEM 12, 3331-3336 (2011).

    (58) "Acceleration of Self-consistent-Field Convergence by Combining Conventional Diagonalization and a Diagonalization-Free Procedure"
    A. Baldes, W. Klopper, J. Simunek, F. Noga, F. Weigend,  J. COMPUT. CHEM. 32, 3129-3134 (2011).

    (57) "Jahn-Teller Distortion Versus Spin-Orbit Splitting: Symmetry of Small Heavy-Metal Atom Clusters"
    A. Baldes, R. Gulde, F. Weigend,  J. CLUST. SCI. 22, 355-363 (2011).

    (56) "Structures and properties of neutral gallium clusters: A theoretical investigation"
    N. Drebov, F. Weigend, R. Ahlrichs, J. CHEM. PHYS.  135 044314 (2011).

    (55) "Segmented contracted basis sets for one- and two-component Dirac-Fock effective core potentials"
    F. Weigend, A. Baldes, J. CHEM. PHYS. 133, 174102 (2010).

    (54) "Chalcogen chemistry of group(IV) closo-dodecaborates, synthesis, theory and coordination chemistry"
    J.A. Dimmer, M. Hornung, F. Weigend, L. Wesemann, DALTON TRANSACTIONS 39, 7504-7512 (2010).

    (53) "Bistrimethylsilylamide Transition-Metal Complexes as Starting Reagents in the Synthesis of Ternary Cd-Mn-Se Cluster Complexes"
    A. Eichhöfer, O. Hampe, S. Lebedkin, F. Weigend, INORG. CHEM. 49, 7331-7339 (2010).

    (52) "Quantum chemical treatments of metal clusters"
    F. Weigend, R. Ahlrichs, PHIL. TRANS. A 368, 1245-1263 (2010). 

    (51) "1-D-Tin(II) Phenylchalcogenolato Complexes (1)(infinity)[Sn(EPh)(2)] (E = S, Se, Te) - Synthesis, Structures, Quantum Chemical Studies and Thermal Behaviour"
    A. Eichhöfer, A, J.J. Jiang, H. Sommer, F. Weigend, O. Fuhr, D. Fenske, C. Y. Su, G. Buth, EUR. J. INORG. CHEM 3, 410-418 (2010).

    (50) "Observation and Interpretation of Structural Variety in Alkaline Earth Metal Derivatives of Diphosphanyldisiloxane"
    P. Kopecky, C. v. Hänisch, F. Weigend, A. Kracke, EUR. J. INORG. CHEM 2, 258-265 (2010).

    (49) "Synthesis, Crystal Structure and Bond Situation of [Co7Se7Cp3(CO)(4)] (Cp = Cyclopentadienyl)"
    S. Koenig, D. Fenske, F. Weigend, Z. ANORG. ALLG. CHEM. 635, 2288-2293 (2009).

    (48) "Coordination and Oligomerisation of the Siloxanephosphane Cage Compound [P-2{(SiMe2)(2)O}(3)]"
    C. v. Hänisch, F. Weigend, O. Hampe, S. Stahl, CHEM. EUR. J. 15, 9642-9646 (2009).

    (47) "How Photoelectron Spectroscopy and Quantum Chemical Studies Can Help Understanding the Magnetic Properties of Molecules: An Example from the Class of Cu(II)-Bis(oxamato) Complexes"
    B. Bräuer, M. Grobosch, M. Knupfer, F. Weigend, Y. Vaynzof, A. Kahn, T. Rueffer, G. Salvan, J. PHYS. CHEM. B 113, 10051-10054 (2009).

    (46) "Neutral and cationic main group element cages of germanium(II) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations"
    I. Krummenacher, I. Fernandez, H. Ruegger, F. Weigend,F. Breher, DALTON TRANSACTIONS 27, 5335-5347 (2009).

    (45) "Approximated electron repulsion integrals: Cholesky decomposition versus resolution of the identity methods"
    F. Weigend, M. Kattannek, R. Ahlrichs, J. CHEM. PHYS. 130, 164106 (2009).

    (44) "Partial double bond character in chalcogen compounds of stanna-closo-dodecaborate"
    M. Kirchmann, T. Gadt, F. M. Schappacher, R. Poettgen, F. Weigend, L. Wesemann, DALTON TRANSACTIONS 6, 1055-1062 (2009)

    (43) "Electron paramagnetic resonance and density-functional theory studies of Cu(II)-bis(oxamato) complexes"
    B. Bräuer, F. Weigend, M. Fittipaldi, D. Gatteschi, E.J. Rejerse, A. Guerri, S. Ciattini, G. Salvan, T. Rueffer, INORG. CHEM. 47, 6633-6644 (2008).

    (42) "Magnetic and optical properties of Cu(II)-bis(oxamato) complexes: Combined quantum chemical density functional theory and vibrational spectroscopy studies"
    B. Bräuer, F. Weigend, F. Totti, D.R. T. Zahn, T. Rueffer, G. Salvan, J. PHY. CHEM. B 112, 5585-5593 (2008).

    (41) "Self-consistent treatment of spin-orbit interactions with efficient Hartree-Fock and density functional methods"
    M. K. Armbruster, F. Weigend, C. van Wüllen, W. Klopper, PHYS. CHEM. CHEM. PHYS. 10, 1748-1756 (2008).

    (40) "Binding energy and preferred adsorption sites of CO on gold and silver-gold cluster cations: Adsorption kinetics and quantum chemical calculations"
    M. Neumaier, F. Weigend, O. Hampe, M.M. Kappes, FARADAY DISCUSSIONS 138, 393-406 (2008).

    (39) "Unique manganese phosphorus complex with a Mn5P7 core: Synthesis, molecular structure, and magnetic properties"
    C. v. Hänisch, F. Weigend, R. Clerac, INORG. CHEM. 47, 1460-1464 (2008).

    (38) "Hartree-Fock exchange fitting basis sets for H to Rn"
    F. Weigend, J. COMPUT. CHEM. 29, 167-175 (2008).

    (37) "Stepwise synthesis and coordination compound of an inorganic cryptand"
    C. v. Hänisch, O. Hampe, F. Weigend, S. Stahl, ANGEW. CHEM. INT. ED. 46, 4775-4779 (2007). 

    (36) "Silver aggregation caused by stanna-closo-dodecaborate coordination: Syntheses, solid-state structures and theoretical studies"
    S. Hagen, H. Schubert, C. Maichle-Mossmer, Pantenburg, F. Weigend, L. Wesemann, INORG. CHEM. 46, 6775-6784 (2007).

    (35) "Spin density distribution in oxamato-type transition metal complexes "
    B. Bräuer, T. Rüffer, R. Kirmse, J. Griebel, F. Weigend, S. Salvan, POLYHEDRON 26, 1773-1775 (2007). 

    (34) "Quantum chemistry calculations for molecules coupled to reservoirs: Formalism, implementation, and application to benzenedithiol"
    Arnold, A, F. Weigend, F. Evers, J. CHEM. PHYS. 126, 174101 (2007). 

    (33) "Basis-set extensions for two-component spin-orbit treatments of heavy elements"
    M. K. Armbruster, W. Klopper, F. Weigend, PHYS. CHEM. CHEM. PHYS. 8, 4862-4865 (2006). 

    (32) "Accurate Coulomb-fitting basis sets for H to Rn"
    F. Weigend, PHYS. CHEM. CHEM. PHYS. 8, 1057-1065 (2006). 

    (31) "Structural relaxation in charged metal surfaces and cluster ions"
    F. Weigend, F. Evers, J. Weissmüller, SMALL 2, 1497-1503 (2006).

    (30) "Reactions of mixed silver-gold cluster cations AgmAun+ (m+n=4,5,6) with CO: Radiative association kinetics and density functional theory computations"
    M. Neumaier, F. Weigend, O. Hampe, M.M. Kappes, J. CHEM. PHYS. 125, 104308 (2006).

    (29) "Ab initio calculations of clusters"
    F. Weigend, CFN Lectures on Functional Nanostructures 1, 205-219 (2005).

    (28) "Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy"
    F. Weigend, R. Ahlrichs,  PHYS. CHEM. CHEM. PHYS. 7, 3297-3305 (2005).

    (27) "Unusual syntheses, structures, and electronic properties of compounds containing ternary, T3-type supertetrahedral M/Sn/S anions[M5Sn(mu(3)-S)(4)(SnS4)(4)](10-) (M= Zn, Co)"
    C. Zimmermann, C. E. Anson, F. Weigend, R. Clerac, S. Dehnen, INORG. CHEM. 44, 5686-5695 (2005).

    (26) "Binding energies of CO on gold cluster cations Au-n(+) (n=1-65): A radiative association kinetics study"
    M. Neumaier, F. Weigend, O. Hampe, M.M. Kappes, J. CHEM. PHYS.   123, 049901 (2005).

    (25) "A single-molecule diode"
    M. Elbing, R. Ochs, M. Köntopp, M. Fischer, C. v. Hänisch, F. Weigend, F.Evers, H. B. Weber, M. Mayor, PROC. NAT. ACAD. SCI. USA   102, 8815-8820 (2005). 

    (24) "Atom-type assignment in molecules and clusters by perturbation theory - A complement to X-ray structure analysis"
    F. Weigend, C. Schrodt, CHEM. EUR. J. 11, 3559-3564 (2005). 

    (23) "Binding energies of CO on gold cluster cations Au-n(+) (n=1-65): A radiative association kinetics study"
    M. Neumaier, F. Weigend, O. Hampe, M.M. Kappes, J. CHEM. PHYS. 122, 104702 (2005).

    (22) "Atom distributions in binary atom clusters: A perturbational approach and its validation in a case study"
    F. Weigend, C. Schrodt, R. Ahlrichs, J. CHEM. PHYS. 121, 10380-10384 (2004).

    (21) "Ortho-chalcogenostannates as ligands: Syntheses, crystal structures, electronic properties, and magnetism of novel compounds containing ternary anionic substructures [M-4(mu(4)-Se)(SnSe4)(4)](10-) (M = Mn, Zn, Cd, Hg), (3)(infinity)[Hg-4(mu Se-4)(SnSe4)(3)](6-)}, or (1)(infinity){[HgSnSe4](2-)}"
    M. K. Brandmayer, R. Clerac, F. Weigend, S. Dehnen, CHEM. EUR. J. 10, 5147-5157 (2004). 

    (20) "Syntheses of the 47 electron clusters [(Cp*Fe)(3)(mu(3)-X)(2)] (X = S, Se) and the first Fe/Sn/Se heterocubane cluster [(Cp*Fe)(3)(SnCl3)(mu(3)-Se)(4)]center dot DME by the use of chalcogenostannate salts"
    C. Zimmermann, C. E. Anson, A. L. Eckermann, M. Wunder, G.Fischer, I. Keilhauer, E. Herrling, B. Pilawa, O. Hampe, F. Weigend , S. Dehnen, INORG. CHEM. 43, 4595-4603 (2004).

    (19) "Conductance of molecular wires and transport calculations based on density-functional theory"
    F. Evers, F. Weigend, M. Köntopp, PHYS. REV. B   69, 235411 (2004). 

    (18) "Gold-gold interaction - Stannaborate [SnB11H11](2-) coordination chemistry"
    S. Hagen, I. Pantenburg, F. Weigend, C. Wickleder, L. Wesemann, ANGEW. CHEM. INT. ED. 42, 1501-1505 (2003). 

    (17) "Gaussian basis sets of quadruple zeta valence quality for atoms H-Kr"
    F. Weigend, F. Furche, R. Ahlrichs, J. CHEM. PHYS. 119, 12753-12762 (2003). 

    (16) "Coherent transport through a molecular wire: DFT calculation"
    F. Evers, F. Weigend, M. Köntopp, PHYSICA E 18, 255-257 (2003).

    (15) "A fully direct RI-HF algorithm: Implementation, optimised auxiliary basis sets, demonstration of accuracy and efficiency"
    F. Weigend, PHYS. CHEM. CHEM. PHYS. 4, 4285-4291 (2002). 

    (14) "Theoretical investigation of binary and ternary metal clusters derived from [Y10M](n-) zintl ions"
    C. Schrodt, F. Weigend, R. Ahlrichs, Z. ANORG. ALLG. CHEM. 628, 2478-2482 (2002). 

    (13) "Electronic transport through single conjugated molecules"
    H. B. Weber, J. Reichert, F. Weigend, R. Ochs, D. Beckmann, M. Mayor, R. Ahlrichs, H. v. Löhneysen, CHEM. PHYS. 281, 113-125 (2002). 

    (12) "Syntheses, crystal structures, and quantum chemical investigation of compounds with a ladder-shaped Al4P4 and a hexagonal prismatic, Al6P6 core structure"
    C. v. Hänisch, F. Weigend, Z. ANORG. ALLG. CHEM. 628, 389-393 (2002).

    (11) "Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations"
    F. Weigend, A. Köhn, C. Hättig, J. CHEM. PHYS. 116, 3175-3183 (2002). 

    (10) "Theoretical study on clusters of magnesium"
    A. Köhn, F. Weigend, R. Ahlrichs, PHYS. CHEM. CHEM. PHYS. 3, 711-719 (2001). 

    (9) "[{Ag(tBuNH(2))(2)}(4)][{Ag(tBuNH(2))-(tBuN=CHCH3)}(2)][Ag-12(CF3CO2)(14)]: A compound with an Ag-12(8+) cluster core"
    Reiss, P, F. Weigend, R. Ahlrichs, D. Fenske, ANGEW. CHEM. INT. ED. 39, 3925-3930 (2000). 

    (8) "CC2 excitation energy calculations on large molecules using the resolution of the identity approximation"
    C. Hättig, F. Weigend, J. CHEM. PHYS. 113, 5154-5161 (2000). 

    (7) "Synthesis, structures and theoretical investigation of [Cu-4(P2S6)(PPh3)(4)], [Cu-6(P2S6)Cl-2(PPh3)(6)], and [Au-4(P2S6)(PPh3)(4)] "
    F. Weigend, S. Wirth, R. Ahlrichs, D. Fenske, CHEM. EUR. J. 6, 545-551 (2000). 

    (6) "Ab initio treatment of (H2O)(2)(-) and (H2O)(6)(-)"
    F. Weigend, R. Ahlrichs, PHYS. CHEM. CHEM. PHYS.  1 4537-4540 (1999). 

    (5) "RI-MP2: optimized auxiliary basis sets and demonstration of efficiency "
    F. Weigend, M. Häser, H. Patzelt, R. Ahlrichs, CHEM. PHYS. LETT. 294, 143-152 (1998).

    (4) "Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials"
    K. Eichkorn, F. Weigend, O. Treutler, R. Ahlrichs, THEOR. CHEM. ACC. 97, 119-124 (1997). 

    (3) "RI-MP2: first derivatives and global consistency"
    F. Weigend, M. Häser, THEOR. CHEM. ACC. 97, 331-340 (1997).

    (2) "A square As-4 and a prismatic As-6 structure as complex ligands "
    C. v. Hänisch, D. Fenske, F. Weigend, R. Ahlrichs, CHEM. EUR. J. 3, 1494-1498 (1997). 

    (1) "Role of oxygen in the determination of oxide forming elements by electrothermal atomic absorption spectrometry .3. Effect of oxygen on the reactions of tin in uncoated, pyrolytically coated and zirconium carbide coated graphite tube atomizers"
    G. Müller-Vogt, F. Weigend, W. Wendl, SPECTROCHIM. ACTA B 51, 1133-1137 (1996).