Scientific Publications 1985 — 1989

46. “CF₂²⁺ and CF²⁺, Two Unusually Stable Dications with Carbon-Fluorine Double Bonding.” W. Koch and G. Frenking, Chem. Phys. Lett. 114, 178 (1985) online (DOI)
    
    
47. “Theoretical and Experimental Studies on the Ground State Potential Energy Surface of C₂H₄O Dications.” W. Koch, G. Frenking, H. Schwarz, F. Maquin and D. Stahl, Int. J. Mass Spectrom. IOn Proc. 63, 59 (1985) online (DOI)
    
    
48. “Ab Initio Investigation of the Potential Energy Surfaces of C₂H₂F₂ and C₂H₂F₂⁺.” G. Frenking, W. Koch and M. Schaale, J. Comput. Chem. 6, 189 (1985) online (DOI)
    
    
49. “The silaformyl radical HSiO and its energetically lower-lying isomer SiOH.” G. Frenking and H. F. Schaefer III, J. Chem. Phys. 82, 4585 (1985) online (DOI)
    
    
50. “The Structures and Energies of SiH_n²⁺ Dications (n = 1–5).” W. Koch, G. Frenking, and H. Schwarz, J. Chem. Soc. Chem. Commun. 1119 (1985) online (DOI)
    
    
51. “Experimental and Theoretical Investigation of the Azide Anion (N₃^-) in the Gas Phase.” E. Illenberger, P. B. Comita, J. I. Braumann, H. P. Fenzlaff, M. Heni, N. Heinrich, W. Koch, and G. Frenking, Ber. Bunsenges. Phys. Ges. 89, 1026 (1985) online (DOI)
    
    
52. “On the Use of Koopmans’ Theorem to Estimate Negative Electron Affinities.” N. Heinrich, W. Koch and G. Frenking, Chem. Phys. Lett. 124, 20 (1986) online (DOI)
    
    
53. “Substituent Effects on Neutral and Ionized C=C and C=O Double Bonds and Their Implications for the Stability Order of Keto/Enol Tautomers.” N. Heinrich, W. Koch, G. Frenking, and H. Schwarz, J. Am. Chem. Soc. 108, 593 (1986) online (DOI)
    
    
54. “Structures and Energies of Singlet Silacyclopropenylidene and 14 Higher Lying C₂SiH₂ Isomers.” G. Frenking, R. B. Remington, and H. F. Schaefer III, J. Am. Chem. Soc. 108, 2169 (1986) online (DOI)
    
    
55. “MINDO/3 and MNDO Calculations of Closed- and Open-Shell Cations Containing C, H, N, O.” H. Halim, N. Heinrich, W. Koch, J. Schmidt, and G. Frenking, J. Comput. Chem 7, 93 (1986) online (DOI)
    
    
56. “A Møller-Plesset study of the electron affinities of the diatomic hydrides XH (X = Li, B, Be, C, N, O).” G. Frenking and W. Koch, J. Chem. Phys. 84, 3224 (1986) online (DOI)
    
    
57. “Experimental and Theoretical Studies on SiH_n²⁺ Dications (n = 1–5).” W. Koch, G. Frenking, H. Schwarz, F. Maquin, and D. Stahl, J. Chem. Soc. Perkin Trans. II 757 (1986) online (DOI)
    
    
58. “Theoretical investigations of small multiply charged cations. I. SiH²⁺.” W. Koch, G. Frenking, and C. C. Chang, J. Chem. Phys. 84, 2703 (1986) online (DOI)
    
    
59. “Theoretical Investigations on Fluorine-Substituted Ethylene Dications C₂H_nF_4-n²⁺ (n = 0–4).” G. Frenking, W. Koch, and H. Schwarz, J. Comput. Chem. 7, 406 (1986) online (DOI)
    
    
60. “Hydrogen substituted by Helium (+): Theoretical Investigations on the Structures and Stabilities of He₂O²⁺, He₂N²⁺, and He₂C²⁺.” W. Koch and G. Frenking, J. Chem. Soc. Chem. Commun. 1095 (1986) online (DOI)
    
    
61. “Structures, Stabilities, and Bonding in CBe₂, C₂Be, and C₂Be₂.” W. Koch, G. Frenking, J. Gauss, D. Cremer, A. Sawaryn, and P.v.R. Schleyer, J. Am. Chem. Soc. 108, 5732 (1986) online (DOI)
    
    
62. “Donor-Acceptor Interaction and the Peculiar Structures of Dications.” W. Koch, G. Frenking, J. Gauss, and D. Cremer, J. Am. Chem. Soc. 108, 5808 (1986) online (DOI)
    
    
63. “Theoretical Predictions of Metastable Ions with Short Carbon-Helium Bonds.” W. Koch and G. Frenking, Int. J. Mass Spectrom. Ion Proc. 74, 133 (1986) online (DOI)
    
    
64. “Structure Activity Studies of a Series of 4-(m-OH Phenyl) Piperidines.” G. Loew, J. Lawson, L. Toll, E. Uyeno, G. Frenking and W. Polgar, Progress in Opoid Research. Proceeding of the 1986 International Narcotics Research Conference, NIDA Research Monograph 85, 49 (1986)
    
    
65. “Theoretical Structure-Activity Studies of Methyl-Substituted 4-(m-OH Phenyl) Piperidines.” G. Frenking, G. H. Loew and J. Lawson, Progress in Opoid Research. Proceeding of the 1986 International Narcotics Research Conference, NIDA Research Monograph 85, 53 (1986)
    
    
66. “Are there Neutral Helium Compounds which are Stable in their Ground State? A Theoretical Investigation of HeBCH and HeBeO.” W. Koch, J. R. Collins and G. Frenking, Chem. Phys. Lett. 132, 330 (1986) online (DOI)
    
    
67. “Analgesics 4. Studies on the Effects of the Introduction of Methyl at C-17 of N-Cyclopropylmethyl-Normorphine: Synthesis, Receptor Binding, In Vivo Activity, Conformation Energies.” J. A. Lawson, L. Toll, G. H. Loew, G. Frenking, J. I. DeGraw, E. T. Uyeno, W. Polgar, N. Camerman, A. Camerman, and D. Adhikesavalu, Problems of Drug Dependance, 1986. Proceedings of the 48th Meeting of the Committee of Problems in Drug Dependance, NIDA Research Monograph 76, 309 (1987)
    
    
68. “Theoretical Investigation of the Structures and Electron Affinities of NCO and NCS Isomers, CH₂NCH₂, and CH₂N.” W. Koch and G. Frenking, J. Phys. Chem. 91, 49 (1987) online (DOI)
    
    
69. “Theoretical investigations of small multiply charged cations. II. CNeⁿ⁺ (1≤n≤4).” W. Koch and G. Frenking, J. Chem. Phys. 86, 5617 (1987) online (DOI)
    
    
70. “The Singlet-Triplet Splitting of the Low-Lying Electronic States of H₂O²⁺ and a Comparison with Isoelectronic CH₂ and CHe₂²⁺.” G. Frenking and W. Koch, Chem. Phys. Lett. 138, 503 (1987) online (DOI)
    
    
71. “Theoretical Investigations of the Low-Lying Electronic States of the HeC²⁺ Dication.” W. Koch, G. Frenking, and B. T. Luke, Chem. Phys. Lett. 139, 149 (1987) online (DOI)
    
    
72. “Helium Chemistry: Theoretical Predictions and Experimental Challenge.” W. Koch, G. Frenking, J. Gauss, D. Cremer, and J. R. Collins, J. Am. Chem. Soc. 109, 5917 (1987) online (DOI)
    
    
73. “A Possible Explanation why Doubly Charged NeN²⁺, but no NeC²⁺ and NeO²⁺ were Observed in Charge-Stripping Mass Spectrometry.” G. Frenking and W. Koch, Int. J. Mass Spectrom. Ion Proc. 82, 335 (1988)
    
    
74. “Fixation of Nitrogen and Carbon Monoxide by Beryllium Oxide: Theoretical Investigation of the Structures and Stabilities of NNBeO, OCBeO and COBeO.” G. Frenking, W. Koch and J.R. Collins, J. Chem. Soc. Chem. Commun. 1147 (1988) online (DOI)
    
    
75. “Stabilities and Nature of the Attractive Interactions in HeBeO, NeBeO, ArBeO and a Comparison with some Analogues NGLiF, NGBN and NGLiH (NG = He, Ar). A Theoretical Investigation.” G. Frenking, W. Koch, J. Gauss, and D. Cremer, J. Am. Chem. Soc. 110, 8007 (1988) online (DOI)
    
    
76. “Structure-Activity Studies of Morphine Fragments. I. 4- Alkyl-4-(m-hydroxy-phenyl)-piperidines.” G. H. Loew, J. A. Lawson, E. T. Uyeno, L. Toll, G. Frenking, W. Polgar, L. Y. Y. Ma, N. Camerman, and A. Camerman, Mol. Pharmacol. 34, 363 (1988) online
    
    
77. “Effects of Addition of a 2-Methyl Group to Ethyl Nipecotates (β-Meperidines) on Receptor Affinities and Opiate Agonist/Antagonist Activities.” J. A. Lawson, A. Cheng, J. DeGraw, G. Frenking, E. Uyeno, L. Toll, and G. H. Loew, J. Med. Chem. 31, 2015 (1988) online (DOI)
    
    
78. “Structure Activity Studies of Two Classes of Beta-Amino-Amides. The Search for κ-Selektive Opioids.” G. Loew, J. Lawson, L. Toll, G. Frenking, I. Berzetei-Gurske and W. Polgar, Proceedings of the Committee on Problems of Drug Dependence 90, 144 (1988)
    
    
79. “Stereochemistry and Conformation in Solution of Nefopam Hydrochloride, Benzoxazocine Analgesic Drug.” R. Glaser, G. Frenking, G. H. Loew, D. Donnell, and I. Agranat, New J. Chem. 12, 953 (1988)
    
    
80. (Review) “A Comparison of Isoelectronic Hydrogen and Helium (+) Compounds.” G. Frenking, W. Koch, and J. F. Lieman, in ‘From Atoms to Polymers. Isoelectronic Analogies.’ J. F. Liebmann and A. Greenberg (Eds), VCH Publishers, 169 (1989) ISBN-10: 0895737116 / ISBN-13: 9780895737113 offline
    
    
81. “The ArF⁺ Cation. Is It Stable Enough to be Isolated in a Salt?” G. Frenking, W. Koch, C. A. Deakyne, J. F. Liebman, and N. Bartlett, J. Am. Chem. Soc. 111, 31 (1989) online (DOI)
    
    
82. “Solid-state Stereochemistry of Nefopam Hydrochloride, a Benzoxazocine Analgesic Drug.” R. Glaser, G. Frenking, G. H. Loew, D. Donnell, S. Cohen and I. Agranat, J. Chem. Soc. Perkin Trans. II 113 (1989) online (DOI)
    
    
83. “Helium Bonding in Singly and Doubly Charged First-Row Diatomic Cations HeXⁿ⁺ (X = Li – Ne; n = 1, 2).” G. Frenking, W. Koch, J. Gauss, D. Cremer, and J. F. Liebman, J. Phys. Chem. 93, 3397 (1989) online (DOI)
    
    
84. “Neon and Argon Bonding in First-Row Cations NeX⁺ and ArX⁺ (X = Li – Ne).” G. Frenking, W. Koch, D. Cremer, J. Gauss, and J. F. Liebman, J. Phys. Chem. 93, 3410 (1989) online (DOI)
    
    
85. “Effect of Structural Modifications in the C7-C11 Region of the Retinoid Skeleton on Biological Activity in a Series of Aromatic Retinoids.” M. I. Dawson, P. D. Hobbs, K. A. Derdzinski, W.-R. Chao, G. Frenking, G. H. Loew, A. M. Jetten, J. L. Napoli, J. B. Williams, B. P. Sani, J. J. Wille Jr., and L. J. Schiff, J. Med. Chem. 32, 1504 (1989) online (DOI)
    
    
86. “Theory and Experiment in Accord: The Vinylidene Radical Cation.” G. Frenking, Int. J. Mass Spectrom. Ion Proc. 95, 109 (1989) online (DOI)
    
    
87. “Opiate Receptor Heterogeneity: Relative Ligand Affinites and Molecular Determinants of High Affinity Binding at Different Opiate Receptors.” G. Loew, L. Toll, J. Lawson, G. Frenking, and W. Polgar, Progr. Clin. Biol. Res. 289, 411 (1989)