Main Content

  Scientific Publications 1995 — 1999

  1. “Structures and Bond Energies of the Transition Metal Carbonyls M(CO)5 (M = Fe, Ru, Os) and M(CO)4 (M = Ni, Pd, Pt).” (Theoretical Studies of Organometallic Compounds. X.)
    A.W. Ehlers, G. Frenking
    Organometallics 14, 423 (1995) online (DOI)

  2. “Verbindungen mit planar-tetrakoordinierten Boratomen: Anti-van’t-Hoff/Le-Bel-Geometrie ohne Metallzentren.”
    M. Menzel, D. Steiner, H.-J. Winkler, D. Schweikart, S. Mehle, S. Fau, G. Frenking, W. Massa, A. Berndt
    Angew. Chem. 107, 368 (1995) online (DOI)
    Angew. Chem. Int. Ed. Engl. 34, 327 (1995) online (DOI)

  3. “Quantenchemie schweratomiger Moleküle.”
    G. Frenking
    Trendbericht Theoretische Chemie 1994, Nachr. Chem. Tech. Lab. 43, 217 (1995) online (DOI)

  4. “Structure and Bonding of Transition Metal Dihydrogen Complexes [M(CO)5(H2)] (M = Cr, Mo, W).” (Theoretical Studies of Organometallic Compounds XI)
    S. Dapprich, G. Frenking
    Angew. Chem. 107, 383 (1995) online (DOI)
    Angew. Chem. Int. Ed. Engl. 34, 354 (1995) online (DOI)

  5. “Synthetic, Structural, and Theoretical Studies on a Novel Rhodium(I) Complex Containing a π-Allyl-Type Ylide Ligand.”
    H. Werner, N. Mahr, G. Frenking, V. Jonas
    Organometallics, 14, 619 (1995) online (DOI)

  6. “NMR Data of Methyltitanium Trichloride and Related Organometallic Compounds. A Combined Experimental and Theoretical Study of MenXCl4-n (n = 0–4, X = C, Si, Sn, Pb, Ti).”
    S. Berger, W. Bock, G. Frenking, V. Jonas, F. Müller
    J. Am. Chem. Soc. 117, 3820 (1995) online (DOI)

  7. “Theoretical Investigation of Transition Metal-Ligand Interactions Using the Charge Decomposition Analysis.” (Theoretical Studies of Organometallic Compounds XII)
    G. Frenking, S. Dapprich, A. W. Ehlers, S. Vyboishchikov
    Proceedings of the II. International Symposium ‘Stereoselective Reactions of Metal-Activated Molecules.’ Sonderforschungsbereich 347, Universität Würzburg, H. Werner and J. Sundermeyer (Eds)
    Vieweg, Braunschweig, 207 (1995) ISBN-10: 3528066644 / ISBN-13: 978-3528066642 Google books abstract (DOI)

  8. “Investigation of Donor-Acceptor Interactions: A Charge Decomposition Analysis Using Fragment Molecular Orbitals.”
    S. Dapprich, G. Frenking
    J. Phys. Chem. 99, 9352 (1995) online (DOI)

  9. “S(NPMe3)42+, erste Strukturbestimmung an einem Dikation des sechswertigen Schwefels.”
    H. Folkerts, W. Hiller, M. Herker, S.F. Vyboishchikov, G. Frenking und K. Dehnicke, Angew. Chem. 107, 1469 (1995) online (DOI); Angew. Chem., Int. Ed. Engl. 34, 1362 (1995) online (DOI)

  10. “Diborylcarbene als reaktive Zwischenstufen doppelter 1,2-Umlagerungen mit niedrigen Aktivierungsenthalpien.”
    M. Menzel, H.-J. Winkler, T. Ablelom, D. Steiner, S. Fau, G. Frenking, W. Massa, A. Berndt
    Angew. Chem. 107, 1476 (1995) online (DOI)
    Angew. Chem., Int. Ed. Engl. 34, 1340 (1995) online (DOI)

  11. “Structure and Bonding of the Transition Metal Methyl and Phenyl Compounds MCH3, MC6H5 (M = Cu, Ag, Au) and M(CH3)2, M(C6H5)2 (M = Zn, Cd, Hg).” (Theoretical Studies of Organometallic Compounds XIV)
    I. Antes, G. Frenking
    Organometallics 14, 4263 (1995) online (DOI)

  12. “The calculation of bond dissociation energies of transition metal complexes using isostructural reactions.” (Theoretical Studies of Organometallic Compounds XVIII)
    S. Dapprich, U. Pidun, A.W. Ehlers, G. Frenking
    Chem. Phys. Lett. 242, 521 (1995) online (DOI)

  13. “Anti van’t Hoff/Le Bel geometries of boron compounds. A theoretical study of classical and nonclassical isomers of B2CH4, B2NH3 and B2OH2.”
    S. Fau, G. Frenking
    J. Mol. Struct. THEOCHEM 338, 117 (1995) online (DOI)

  14. “The role of σ and π stabilization in benzene, allyl cation and allyl anion. A canonical orbital energy derivative study.”
    A. Gobbi, Y. Yamaguchi, G. Frenking, H. F. Schaefer III
    Chem. Phys. Lett. 244, 27 (1995) online (DOI)

  15. “Si2H2 and CSiH2 Isomers as Ligands in High-Valent Transition Metal Complexes.” (Theoretical Studies of Organometallic Compounds XV)
    R. Stegmann, G. Frenking
    Organometallics 14, 5308 (1995) online (DOI)

  16. “Mechanism of the Chelation Controlled Addition of CH3TiCl3 to α-Alkoxy Carbonyl Compounds. A Theoretical Study.” (Theoretical Studies of Organometallic Compounds XVI)
    V. Jonas, G. Frenking and M.T. Reetz, Organometallics 14, 5316 (1995) online (DOI)

  17. “Complexes of Transition Metals in High and Low Oxidation States with Side-On-Bonded π-Ligands.” (Theoretical Studies of Organometallic Compounds XVII)
    U. Pidun, G. Frenking, Organometallics 14, 5325 (1995) online (DOI)

  18. “Structural Characterization of Organocuprate Reagents. EXAFS Spectroscopy and ab Initio Calculations.”
    T. L. Stemmler, T. M. Barnhart, J. E. Penner-Hahn, C. E. Tucker, P. Knochel, M. Böhme, G. Frenking
    J. Am. Chem. Soc. 117, 12489 (1995) online (DOI)

  19. “Quantum Mechanical Ab Initio Investigation of Metal- Ligand Interactions in Transition-Metal Carbonyl Complexes.” (Theoretical Studies of Organometallic Compounds XIII)
    G. Frenking, S. Dapprich, A.W. Ehlers, M. Otto, S. F. Vyboishchikov
    Proceedings of the NATO Advanced Study Institute ‘Metal-Ligand Interactions: Structure and Reactivity.’ Cetraro (Italy), September 5–16, 1994, N. Russo (Ed.), p. 185–232, Kluwer Academic Publishers, Amsterdam (1996) ISBN-13: 978-0-7923-3833-8 offline

  20. “Structure and Bonding of the Transition-Metal Carbonyl Complexes M(CO)5L (M = Cr, Mo, W) and M(CO)3L (M = Ni, Pd, Pt; L = CO, SiO, CS, N2, NO+, CN-, NC-, HCCH, CCH2, CH2, CF2, H2).” (Theoretical Studies of Organometallic Compounds XIX)
    A. W. Ehlers, S. Dapprich, S. F. Vyboishchikov, G. Frenking
    Organometallics 15, 105 (1996) online (DOI)

  21. “Electronic Structure of Stable Carbenes, Silylenes and Germylenes.”
    C. Boehme, G. Frenking
    J. Am. Chem. Soc. 118, 2039 (1996) online (DOI)

  22. “2,5,8,11-Tetra-tert-butyl-peri-xanthenoxanthene and its Dication. Spectroelectrochemistry and Model Calculations on a Dioxa-22-π-system.”
    G. Frenking, A. Rieker, J. Salbeck, B. Speiser
    Z. Naturforsch. 51b, 377 (1996) (Directory)

  23. “Stability of Group 11 Carbonyl Complexes Cl-M-CO (M = Cu, Ag, Au).”
    I. Antes, S. Dapprich, G. Frenking, P. Schwerdtfeger
    Inorg. Chem. 35, 2089 (1996) online (DOI) Addition/Correction online (DOI)

  24. “Bent’s Rule and the Structure of Transition Metal Compounds.”
    V. Jonas, C. Boehme, G. Frenking
    Inorg. Chem. 35, 2097 (1996) online (DOI)

  25. “Silaacetylene: A Possible Target for Experimental Studies.”
    R. Stegmann, G. Frenking
    J. Comput. Chem. 17, 781 (1996) online (DOI)

  26. (Review) “Pseudopotential Calculations of Transition Metal Compounds: Scope and Limitations.”
    G. Frenking, I. Antes, M. Böhme, S. Dapprich, A. W. Ehlers, V. Jonas, A. Neuhaus, M. Otto, R. Stegmann, A. Veldkamp, S. F. Vyboishchikov in ‘Reviews in Computational Chemistry.’ Vol. 8, K. B. Lipkowitz, D. B. Boyd (Eds)
    VCH, New York, p. 63–144 (1996) online (DOI)

  27. “The Silaguanidinium Cation and the Search for a Stable Silylium Cation in Condensed Phases.”
    U. Pidun, M. Stahl, G. Frenking
    Chem. Eur. J. 2, 869 (1996) online (DOI)

  28. “Analysis of magnesium-carbon bonding in magnesium anthracene systems.” (Theoretical Studies of Organometallic Compounds XX)
    R. Stegmann, G. Frenking
    Can. J. Chem. 74, 801 (1996) online (DOI)

  29. “Copper-substituted ethanes as a model for copper-acetylene interactions on the metal surface. Quantum mechanical study of the structure and bonding of copper-acetylene and copper-ethylene compounds Cun(C2H2) (n = 1, 2, 4), Cu(C2H2)+, Cun(C2H4) (n = 1, 2) and Cu(C2H4)+1,2.” (Theoretical Studies of Organometallic Compounds XXI)
    M. Böhme, T. Wagener, G. Frenking
    J. Organomet. Chem. 520, 31 (1996) online (DOI)

  30. “Ligand Effects in Transition Metal Dihydrogen Complexes: A Theoretical Study.” (Theoretical Studies of Organometallic Compounds XXIII)
    S. Dapprich, G. Frenking
    Organometallics 15, 4547 (1996) online (DOI)

  31. “Se2NBr3, Se2NCl5, Se2NCl6-: New Nitride Halides of Selenium(III) and Selenium(IV).”
    C. Lau, B. Neumüller, W. Hiller, M. Herker, S. F. Vyboishchikov, G. Frenking, K. Dehnicke
    Chem. Eur. J. 2, 1373 (1996) online (DOI)

  32. “Assignment of Relative Configuration to Acyclic Compounds Based on 13C NMR Shifts. A Density Functional and Molecular Mechanics Study.”
    M. Stahl, U. Schopfer, G. Frenking, R. W. Hoffmann
    J. Org. Chem. 61, 8083 (1996) online (DOI)

  33. “Theory Rules Out a [2+2] Addition of Osmium Tetroxide to Olefins as Initial Step of the Dihydroxylation Reaction.” (Theoretical Studies of Organometallic Compounds XXIV)
    U. Pidun, C. Boehme, G. Frenking
    Angew. Chem. 108, 3008 (1996) online (DOI)
    Angew. Chem., Int. Ed. Engl. 35, 2817 (1996) online (DOI)

  34. “The bonding of acetylene and ethylene in high-valent and low-valent transition metal compounds.” (Theoretical Studies of Organometallic Compounds XXII)
    U. Pidun, G. Frenking
    J. Organomet. Chem. 525, 269 (1996) online (DOI)

  35. “Structure and bonding of the remarkable donor-acceptor complexes XBeO (X = NH3, NMe3, CO, N2, C2H2, C2H4, H2, H2CO, O2).”
    G. Frenking, S. Dapprich, K. F. Köhler, W. Koch, J. R. Collins
    Mol. Phys. 89, 1245 (1996) online (DOI)

  36. “Diatomic interaction energies in the topological theory of atoms in molecules.”
    A. Sierraalta, G. Frenking
    Theor. Chim. Acta 95, 1 (1997) online (DOI)

  37. “[(η5-Cp*)Al-Fe(CO)4] – Synthese, Struktur, Bindungsverhältnisse.”
    J. Weiß, D. Stetzkamp, B. Nuber, R. A. Fischer, C. Boehme, G. Frenking
    Angew. Chem. 109, 95 (1997) online (DOI)
    Angew. Chem. Int. Ed. Engl. 36, 70 (1997) online (DOI)

  38. “Consanguineous Families of Coordinated Carbon: A ReC4Re Assembly That Is Isolable in Three Oxidation States, Including Crystallographically Characterized ReC≡CC≡CRe and +Re=C=C=C=C=Re+ Adducts and a Radical Cation in Which Charge Is Delocalized between Rhenium Termini.”
    M. Brady, W. Weng, Y. Zhou, J. W. Seyler, A. J. Amoroso, A. M. Arif, M. Böhme, G. Frenking, J. A. Gladysz
    J. Am. Chem. Soc. 119, 775 (1997) online (DOI)

  39. “Topological Analysis of Electron Density Distribution Taken from a Pseudopotential Calculation.”
    S. F. Vyboishchikov, A. Sierraalta, G. Frenking
    J. Comput. Chem. 18, 416 (1997) online (DOI)

  40. “Carbenes as Pure Donor Ligands: Theoretical Study of Beryllium-Carbene Complexes.” (Theoretical Studies of Organometallic Compounds XXV)
    N. Fröhlich, U. Pidun, M. Stahl, G. Frenking
    Organometallics 16, 442 (1997) online (DOI)

  41. “Coordination Chemistry and Mechanisms of Metal-Catalyzed CC-Coupling Reactions. 10. Ligand Dissociation in Rhodium-Catalyzed Hydroformylation: A Theoretical Study.”
    R. Schmid, W. A. Herrmann, G. Frenking
    Organometallics 16, 701 (1997) online (DOI)

  42. “100. Geburtstag von Erich Hückel.”
    G. Frenking
    Chem. unserer Zeit 31, 27 (1997) online (DOI)

  43. (Review) “Ab Initio studies of transition-metal compounds: the nature of the chemical bond to a transition metal.”
    G. Frenking, U. Pidun
    J. Chem. Soc., Dalton Trans. 1653 (1997) online (DOI)

  44. “Infrared Spectrum and Structure of Me2TiCl2 and Quantum Mechanical Calculations of Geometries and Force Fields for MeTiCl3 and Me2TiCl2.”
    G. S. McGrady, A. J. Downs, N. C. Bednall, D. C. McKean, W. Thiel, V. Jonas, G. Frenking, W. Scherer
    J. Phys. Chem. 101, 1951 (1997) online (DOI)

  45. “Conformational Analysis with Carbon-Carbon Coupling Constants. A Density Functional and Molecular Mechanics Study.”
    M. Stahl, U. Schopfer, G. Frenking, R. W. Hoffmann
    J. Org. Chem. 62, 3702 (1997) online (DOI)

  46. “The π-Donor Ability of the Halogens in Cations and Neutral Molecules. A Theoretical Study of AX3+, AH2X+, YX3 and YH2X (A = C, Si, Ge, Sn, Pb; Y = B, Al, Ga, In, Tl; X = F, Cl, Br, I).”
    G. Frenking, S. Fau, C. M. Marchand, H. Grützmacher
    J. Am. Chem. Soc. 119, 6648 (1997) online (DOI)

  47. “On the Mechanism of the McMurry Reaction.” (Theoretical Studies of Organometallic Compounds XXVII)
    M. Stahl, U. Pidun, G. Frenking
    Angew. Chem. 109, 2308 (1997) online (DOI)
    Angew. Chem. Int. Ed. Engl. 36, 2234 (1997) online (DOI)

  48. “Calculation of 13C NMR chemical shifts and coupling constants for the analysis of conformer populations and relative configuration in flexible molecules.”
    M. Stahl, U. Schopfer, G. Frenking, R. W. Hoffmann
    Mol. Phys. 92, 569 (1997) online (DOI)

  49. “Structure and Bonding of the Isoelectronic Hexacarbonyls [Hf(CO)6]2-, [Ta(CO)6]-, W(CO)6, [Re(CO)6]+, [Os(CO)6]2+ and [Ir(CO)6]3+: A Theoretical Study.” (Theoretical Studies of Organometallic Compounds XXVI)
    R. K. Szilagyi, G. Frenking
    Organometallics 16, 4807 (1997) online (DOI)

  50. “Structure and Bonding of the Noble Gas-Metal Carbonyl Complexes M(CO)5-Ng (M = Cr, Mo, W and Ng = Ar, Kr, Xe).”
    A.W. Ehlers, G. Frenking, and E. J. Baerends, Organometallics 16, 4896 (1997) online (DOI)

  51. “Applications of Resonance Theory.”
    G. Frenking, M. Stahl, U. Pidun, Macmillan Encyclopedia of Chemistry, J. J. Lagowski (Ed)
    Vol. IV, Macmillan Reference USA, Simon & Schuster Macmillan, New York, 1314–1321, (1997) ISBN-10: 0028972244 / ISBN-13: 9780028972244 (Set ISBN-10: 0028972252 / ISBN-13: 9780028972251)

  52. “Structure and Stability of Y-Conjugated Silylium Cations [Si(XH)3]+ (X = O, S, Se, and Te).”
    C. M. Marchand, U. Pidun, G. Frenking, H. Grützmacher
    J. Am. Chem. Soc. 119, 11078 (1997) online (DOI)

  53. “Theoretical Analysis of the Bonding between CO and Positively Charged Atoms.”
    A. J. Lupinetti, S. Fau, G. Frenking, S. H. Strauss
    J. Phys. Chem. 101, 9551 (1997) online (DOI)

  54. “[HRh(CO)4]-catalyzed Hydrogenation of Co: A Systematic Ab Initio Quantum-Chemical Investigation of the Reaction Mechanism.” (Theoretical Studies of Organometallic Compounds XXVIII)
    U. Pidun, G. Frenking
    Chem. Eur. J. 4, 522 (1998) online (DOI)

  55. “Transition Metal Coordinated Al(X)L2 and Ga(X)L2 Fragments.”
    R. A. Fischer, M. M. Schulte, J. Weiss, L. Zsolnai, A. Jacobi, G. Huttner, G. Frenking, C. Boehme, S. F. Vyboishchikov
    J. Am. Chem. Soc. 120, 1237 (1998) online (DOI)

  56. “Transition Metal Complexes with more than one Dihydrogen Ligand: Structure and Bonding of M(CO)6-x(H2)x (M = Cr, Mo, W; x = 1, 2, 3).” (Theoretical Studies of Organometallic Compounds XXXII)
    S. Dapprich, G. Frenking
    Z. anorg. allg. Chem. 624, 583 (1998) online (DOI)

  57. “Conformation Design of Hydrocarbon Backbones: A Modular Approach.”
    R. W. Hoffmann, M. Stahl, U. Schopfer, G. Frenking
    Chem. Eur. J. 4, 559 (1998) online (DOI)

  58. “Theoretical Study of Transition Metal Compounds with Molybdenum- and Tungsten-Phosphorus Triple Bonds.” (Theoretical Studies of Inorganic Compounds. V)
    T. Wagener, G. Frenking
    Inorg. Chem. 37, 1805 (1998) online (DOI)

  59. “Mechanism of the Acetylene-Vinylidene Rearrangement in the Coordination Sphere of a Transition Metal.” (Theoretical Studies of Organometallic Compounds XXXI)
    R. Stegmann, G. Frenking
    Organometallics 17, 2089 (1998) online (DOI)

  60. “Trans-methyl-azido-bis(triisopropylphosphin)-platin(II), [PtN3(CH3)(PiPr3)2].”
    S. Schlecht, N. Faza, W. Massa, S. Dapprich, G. Frenking, K. Dehnicke
    Z. anorg. allg. Chem. 624, 1011 (1998) online (DOI)

  61. “Tri(phosphorano)borazinium-Ionen.”
    M. Möhlen, B. Neumüller, K. Harms, H. Krautscheid, D. Fenske, M. Diedenhofen, G. Frenking, K. Dehnicke
    Z. anorg. allg. Chem. 624, 1105 (1998) online (DOI)

  62. “Nonclassical Metal Carbonyls: Appropriate Definitions with a Theoretical Justification.”
    A. J. Lupinetti, G. Frenking, S. H. Strauss
    Angew. Chem. 110, 2229 (1998) online (DOI)
    Angew. Chem. Int. Ed. Engl. 37, 2113 (1998) online (DOI)

  63. “Structure and Bonding of Low-Valent (Fischer-Type) and High-Valent (Schrock-Type) Transition Metal Carbene Complexes.” (Theoretical Studies of Organometallic Compounds XXIX)
    S. F. Vyboishchikov, G. Frenking
    Chem. Eur. J. 4, 1428 (1998) online (DOI)

  64. “Structure and Bonding of Low-Valent (Fischer Type) and High-Valent (Schrock Type) Transition Metal Carbyne Complexes.” (Theoretical Studies of Organometallic Compounds XXX)
    S. F. Vyboishchikov, G. Frenking
    Chem. Eur. J. 4, 1439 (1998) online (DOI)

  65. “Short biographies of Nobel Prize winners in chemistry: J. van’t Hoff, E. Fischer, S. Arrhenius, A. von Bayer, W. Ostwald, O. Wallach, V. Grignard, P. Sabatier, R. Willstätter, W. Nernst, R. Zsigmondy, H. Wieland, A. Windaus, H. Fischer, I. Langmuir, P. Debye, R. Kuhn, A. Butenandt, Leopold Ruzicka, R. Robinson, K. Alder, O. Diels, H. Staudinger, L. Pauling, C. Hinshelwood, N. Semonow, J. Heyrovsky, M. Calvin, R. Woodward, R. Mulliken, R. Norrish, G. Porter, M. Eigen, L. Onsager, D. Barton, O. Hassel, J. A. Pople und W. Kohn.”
    G. Frenking in ‘Harenberg Lexikon der Nobelpreisträger.’
    Harenberg Verlag, Dortmund (1998) ISBN-10: 3611006122 / ISBN-13: 9783611006128

  66. “Heretical Thoughts of a Theoretical Chemist about the Autonomy of Chemistry as a Science in the Past and the Present.”
    G. Frenking in ‘The Autonomy of Chemistry in Relationship to the other Natural Sciences; 3rd Erlenmeyer-Colloquy for the Philosophy of Chemistry at the University of Marburg.’ P. Janich, N. Psarros (Eds)
    Könighausen & Neumann, Würzburg (1998) ISBN-10: 3826014863 / ISBN-13: 978-3826014864 Google books

  67. “Transition Metal Chemistry.”
    G. Frenking, T. Wagener inEncyclopedia of Computational Chemistry., P. v.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, P. R. Schreinere (Eds)
    Wiley-VCH, New York, p. 3073–3084 (1998) online (DOI)

  68. “N-Heterocyclic Carbene, Silylene, and Germylene Complexes of MCl (M = Cu, Ag, Au). A Theoretical Study.” (Theoretical Studies of Organometallic Compounds XXXIII)
    C. Boehme, G. Frenking
    Organometallics 17, 5801 (1998) online (DOI)

  69. “Nature of the Metal-Alkene Bond in Platinum Complexes of Strained Olefins.”
    J. Uddin, S. Dapprich, G. Frenking, B. F. Yates
    Organometallics 18, 457 (1999) online (DOI)

  70. “Reaction of Carbodiphosphorane Ph3P=C=PPh3 with Ni(CO)4. Experimental and Theoretical Study of the Structures and Properties of (CO)3NiC(PPh3)2 and (CO)2NiC(PPh3)2.”
    W. Petz, F. Weller, J. Uddin, G. Frenking
    Organometallics 18, 619 (1999) online (DOI)

  71. “Theoretical investigation of the weakly bonded donor-acceptor complexes X3B-H2, X3B-C2H4, and X3B-C2H2 (X = H, F, Cl).”
    S. Fau, G. Frenking
    Mol. Phys. 96, 519 (1999) online (DOI)

  72. “Bonding Interactions of a Molecular Pair of Tweezers with Transition Metals. Theoretical Study of Bis(η2-alkyne) Complexes of Copper(I), Silver(I), and Gold(I).” (Theoretical Studies of Organometallic Compounds XXXVI)
    A. Kovács, G. Frenking
    Organometallics 18, 887 (1999) online (DOI)

  73. “Are There Metal Oxides That Prefer a [2+2] Addition over a [3+2] Addition to Olefins? Theoretical Study of the Reaction Mechanism of LReO3 Addition (L = O-, Cl, Cp) to Ethylene.” (Theoretical Studies of Organometallic Compounds XXXIV)
    D. V. Deubel, G. Frenking
    J. Am. Chem. Soc. 121, 2021 (1999) online (DOI)

  74. “Reaction Mechanisms of Transition Metal Catalyzed Processes.”
    C. Boehme, S. Dapprich, D. Deubel, U. Pidun, M. Stahl, R. Stegmann, G. Frenking, in Transition State Modeling in Computational Catalysis., D. G. Truhlar, K. Morokuma (Eds), p. 114–127
    ACS Symposium Series 721, Oxford University Press, (1999) online (DOI)

  75. “The electronic structure of transition metal compounds.”
    G. Frenking, C. Boehme, U. Pidun, in Pauling’s Legacy – Modern Modelling of the Chemical Bond., Z. Maksic (Ed), p. 555–570
    Elsevier, Amsterdam, (1999) ISBN-10: 0444825088 / ISBN-13: 978-0444825087 Google books online (DOI)

  76. “Phosphaniminato-Komplexe von Rhenium(VII). Synthesen und Kristallstrukturen von [ReO3(NPR3)] (R = Ph, Et) sowie von [ReO(OSiMe3)3(Me3SiNPEt3)].”
    S. Schlecht, D. V. Deubel, G. Frenking, G. Geiseler, K. Harms, J. Magull, K. Dehnicke
    Z. Anorg. Allg. Chem. 625, 887 (1999) online (DOI)

  77. “The Lewis basicity of nitrido complexes. Theoretical investigation of the structure and bonding of Cl2(PH3)3ReN-X (X = BH3, BCl3, BBr3, AlH3, AlCl3, AlBr3, GaH3, GaCl3, GaBr3, O, S, Se, Te).” (Theoretical Studies of Inorganic Compounds. VII.)
    S. F. Vyboishchikov, G. Frenking
    Theor. Chem. Acc. 102, 300 (1999) online (DOI)

  78. “The Nature of the Gallium-Iron Bond in [Ar*GaFe(CO)4].” (Theoretical Studies of Inorganic Compounds. VI) C. Boehme, G. Frenking
    Chem. Eur. J. 5, 2184 (1999) online (DOI)

  79. “Theoretical Study of Gas-Phase Reactions of Fe(CO)5 with OH- and Their Relevance for the Water Gas Shift Reaction.”
    M. Torrent, M. Solà, G. Frenking
    Organometallics 18, 2801 (1999) online (DOI)

  80. “Trends in Molecular Geometries and Bond Strengths of the Homoleptic d10 Metal Carbonyl Cations [M(CO)n]x+ (Mx+ = Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+; n = 1–6): A Theoretical Study.” (Theoretical Studies of Organometallic Compounds XXXV)
    A. J. Lupinetti, V. Jonas, W. Thiel, S. H. Strauss, G. Frenking
    Chem. Eur. J. 5, 2573 (1999) online (DOI)

  81. “Übergangsmetallsubstituierte Gallane: Synthese, Struktur und BindungsverhŠltnisse von [(CO)4CoGaEt2(NC7H13)], [(PMe3)(CO)3CoGaCl2(NMe3)], [(CO)4CoGaCl3]K und [(CO)5MnGaEt2(NC7H13)].”
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