Philipps-Universität Marburg - AG Frenking : Publications 1985

Scientific Publications 1985 - 1989

“CF₂²⁺ and CF²⁺, Two Unusual Stable Dications with Carbon- Fluorine Double Bonding.” W. Koch and G. Frenking, Chem. Phys. Lett. 114, 178 (1985).
“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).
“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).
“The Silaformyl Radical HSiO and its Energetically Lower- Lying Isomer SiOH.” G. Frenking and H.F. Schaefer III, J. Chem. Phys. 82, 4585 (1985).
“Structures and Energies of SiH_n²⁺ Dications (n = 1-5).” W. Koch, G. Frenking, and H. Schwarz, J. Chem. Soc. Chem. Commun. 1119 (1985).
“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).
“On the Use of Koopmans’ Theorem to Estimate Negative Electron Affinities.” N. Heinrich, W. Koch, and G. Frenking, Chem. Phys. Lett. 124, 20 (1986).
“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).
“Structures and Energies of Singlet Silacyclopropenylidene and 14 Higher Lying C2SiH2 Isomers.” G. Frenking, R. Remington, and H.F. Schaefer III, J. Am. Chem. Soc. 108, 2169 (1986).
“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).
“A Møller-Plesset Study of the Electron Affinities of the Diatomic Hydrides XH (X = Li, Be, b, C, N, O).” G. Frenking and W. Koch, J. Chem. Phys. 84, 3224 (1986).
“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).
“Theoretical Investigations of Small Multiply Charged Cations. I. SiH²⁺.” W. Koch, G. Frenking, and C. Chang, J. Chem. Phys. 84, 2703 (1986).
“Theoretical Investigations of Fluorine Substituted Ethylene Dications C₂H_nF_4-n²⁺ (n = 0-4).” G. Frenking, W. Koch, and H. Schwarz, J. Comput. Chem. 7, 406 (1986).
"Hydrogen Substituted by Helium (+): The Structures and Stabilities of He₂O²⁺, He₂N²⁺, and He₂C²⁺." W. Koch and G. Frenking, J. Chem. Soc. Chem. Commun. 1095 (1986).
“Structures, Stabilities and Bonding in CBe₂, C₂Be and C₂Be₂.” G. Frenking, W. Koch, J. Gauss, D. Cremer, A. Sawaryn, and P.v.R. Schleyer, J. Am. Chem. Soc. 108, 5732 (1986).
“Donor-Acceptor Interaction and the Peculiar Structures of Dications.” G. Frenking, W. Koch, J. Gauss, and D. Cremer, J. Am. Chem. Soc. 108, 5808 (1986).
“Theoretical Predictions of Metastable Ions with Short Carbon-Helium Bonds.” W. Koch and G. Frenking, Int. J. Mass Spectrom. Ion Proc. 74, 133 (1986).
“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).
“Theoretical Structure-Activity Studies of Methyl-Substituted 4-(m-OH Phenyl) Piperidines.” G. Frenking, G. Loew, and J. Lawson, Progress in Opoid Research. Proceeding of the 1986 International Narcotics Research Conference, NIDA Research Monograph 85, 53 (1986).
“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).
“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).
“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).
“Theoretical Investigations of Small Multiply Charged Cations. II. CNen+.” W. Koch and G. Frenking, J. Chem. Phys. 86, 5617 (1987).
“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).
“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).
“Helium Chemistry: Theoretical Predictions and Experimental Challenge.” W. Koch, G. Frenking, J. Gauss, D. Cremer, and J.B. Collins, J. Am. Chem. Soc. 109, 5917 (1987).
"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).
“Fixation of N₂ and CO by BeO: 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).
“Stabilities and Nature of the Noble-Gas Bonds in HeBeO, NeBeO, ArBeO and a Comparison with some Analogous XLiF, XBN and XLiH (X = He, Ar).” G. Frenking, W. Koch, J. Gauss, and D. Cremer, J. Am. Chem. Soc. 110 8007, (1988).
“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).
“Effects of Addition of a 2-Methyl Group to Ethyl Nipecotates (β-Meperidines) on the Receptor Affinities and Opiate Agonist/Antagonist Activities.” J.A. Lawson, A. Cheng, J. DeGraw, G. Frenking, E. Uyeno, L. Toll, G.H. Loew, J. Med. Chem., 31, 2015 (1988).
“Structure Activity Studies of Two Classes of β-Aminoamides. The Search for κ-Selektive Opioids.” G. Loew, J.A. Lawson, L. Toll, G. Frenking, I. Berzetei-Gurske, and W. Polgar, Proceedings of the Committee on Problems of Drug Dependence, 90, 144 (1988).
“Stereochemistry and Conformation in Solution of Nefopam Hydrochlorid, and Benzoxacine Analgesic Drug.” R. Glaser, G. Frenking, G.H. Loew, D. Donnell, and I Agranat, New J. Chem. 12, 953 (1988).
(Review) “A Comparison of Isoelectronic Hydrogen and Helium (+) Chemistry.” 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).
“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).
“Solid State Stereochemistry of Nefopam Hydrochlorid, a Benzoazocine Analgesic Drug.” R. Glaser, G. Frenking, G.H. Loew, D. Donnell, S. Cohen and I. Agranat, J. Chem. Soc. Perkin Trans. II, 113 (1989).
“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).
“Neon and Argon Bonding in First-Row Cations NeX+ and ArX+ (X = Li - Ne).” G. Frenking, W. Koch, J. Gauss, D. Cremer, and J.F. Liebman, J. Phys. Chem., 93, 3410 (1989).
“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, H.M. Vu, A.M. Jetten, J.L. Napoli, J.B. Williams, B.P. Sani, J.J. Wille Jr. and L.J. Schift, J. Med. Chem. 32, 1504 (1989).
“Theory and Experiment in Accord: The Vinylidene Radical Cation.” G. Frenking, Int. J. Mass Spectrom. Ion Proc. 95, 109 (1989).
“Opiate Receptor Heterogenecity: 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).