Table Of Content

ELSEVIER International Journal of Mass Spectrometry 201 (2000) v—vii CONTENTS Special Issue: Theoretical/Computational Studies of Ionic Systems: Impact of Theoretical/ Computational Studies on Understanding the Structures, Energetics, and Kinetics of Gas- Phase Ions, edited by Wolfram Koch and William L. Hase Foreword: Gas phase ion chemistry: A fruitful playground for the interplay between a iisssicos cctcsnrvseienrtsp s-tildes elslinh aocbertiaaienls soaiset oalte- ciaatne acdiices hbbieochoawssuharnnoensnsiesiildb ii ix Systematic comparison of the benzynes, pyridynes, and pyridynium cations and characterization of the Bergman cyclization of Z-but-1-en-3-yn-1-yl isonitrile to the meta diradical 2,4-pyridyne Stefan L. Debbert and Christopher J. Cramer (Minneapolis, MN, USA) Ab initio spectroscopic properties for HgT1* Ralf Wesendrup (Auckland, New Zealand), Lars Kloo (Stockholm, Sweden), and Peter Schwerdtfeger (Auckland, New Zealand) Collisional activation, neutralisation-reionisation, and computational studies of [Ge,C,H,,]"*, n = 2,3 Phillip Jackson, Ragampetra Srinivas, Norbert Langermann, Martin Diefenbach, Detlef Schréder, and Helmut Schwarz (Berlin, Germany) Theoretical study of cation/ether complexes: 15-crown-5 and its alkali metal complexes Susan E. Hill and David Feller (Richland, WA, USA) Unimolecular reaction dynamics from kinetic energy release distributions. VI. Energy- selected ions J. C. Lorquet (Liége, Belgium) Structures and reactivity of gaseous glycine and its derivatives Biilent Balta, Maral Basma, Viktorya Aviyente (Istanbul, Tiirkiye), Chuanbao Zhu, and Chava Lifshitz (Jerusalem, Israel) Now Available On (e ntp/Chemebcom http:// b.com/ ys/elsevier.html Abstracted/Contents in: Chem. Abstr.; Curr. Contents, Phys. Chem. Earth Sci.; EMBASE/Excerpta Medica; INSPEC; Mass Spectrom. Bull.; PASCAL/CNRS (CONTENTS CONTINUED) A study of complexes Mg(NH,),"" and Ag(NH,),’, where n = 1-8: Competition between direct coordination and solvation through hydrogen bonding Tamer Shoeib, Rebecca K. Milburn, Gregory K. Koyanagi, Vitali V. Lavrov, Diethard K. Bohme, K. W. Michael Siu, and Alan C. Hopkinson (Toronto, Ontario, Canada) The gas-phase acidity of cyclopropene and simple alkyl derivatives: Can they be measured? Sangdon Han, Michael C. Hare, and Steven R. Kass (Minneapolis, MN, USA) Spin-orbit induced predissociation dynamics of HCI* and HBr* ions: temporal and spectral representations Mikhail V. Korolkov, Karl-Michael Weitzel (Berlin, Germany), and Sigrid D. Peyerimhoff (Bonn, Germany) Ab initio study of Ar,-HCO* (n = 0-6): insight into size dependent cluster ion properties K. O. Sullivan (Omaha, NE, USA) and Gregory I. Gellene (Lubbock, TX, USA) Radiative electron attachment to small linear carbon clusters and its significance for the chemistry of diffuse interstellar clouds R. Terzieva and Eric Herbst (Columbus, OH, USA) Theoretical study of hydrogen exchange in the reaction of FeC;H; with H, Michael L. McKee (Auburn, AL, USA) Spin-forbidden F* transfer between 7NF* and CO: a computational study on the detailed mechanistic aspects Massimiliano Aschi (Roma, Italy) and Felice Grandinetti (Viterbo, Italy) Intramolecular hydrogen migrations in ionized aliphatic alcohols. Barton type and related rearrangements Guy Bouchoux and Nadége Choret (Palaiseau, France) Mediators for hydrogenation of carbon monoxide: theoretical study of addition of H, to HCO* in the presence of CO or H,O Ase Marit Leere Oiestad and Einar Uggerud (Oslo, Norway) Electron-impact total ionization cross sections of SF,(x = 1-5) M. Asgar Ali (Washington, D.C., USA), Karl K. Irikura, and Yong-Ki Kim (Gaithersburg, MD, USA) Structural changes induced by an excess electron in small mercury clusters Yixuan Wang, Heinz-Jiirgen Flad, and Michael Dolg (Dresden, Germany) Formation of three-membered phosphorus heterocycles via ligand-exchange reactions in mono-adducts of the phosphenium ion: an ab initio investigation Theis I. Selling, S. Bruce Wild, and Leo Radom (Canberra, Australia) Cu* reactivity trends in sp, sp*, and sp* nitrogen, phosporus, and arsenic containing bases Alberto Luna, Manuel Alcami, Otilia M6, and Manuel Madjfiez (Madrid, Spain) (CONTENTS CONTINUED) Energy transfer pathways in the collisional activation of peptides Oussama Meroueh and William L. Hase (Detroit, MI, USA) Bi-dipole-bound anions Maciej Gutowski (Richland, WA, USA), Piotr Skurski (Salt Lake City, UT, USA and Gdarisk, Poland), and Jack Simons (Salt Lake City, UT, USA) Density functional theory predictions for the binding of transition metal cations to pi systems: from acetylene to coronene and tribenzocyclyne Stephen J. Klippenstein and Chia-Ning Yang (Cleveland, OH, USA) Heat of formation of the CF; * dication: a theoretical estimate Jan Hrusdk, Zdenek Herman (Prague, Czech Republic), Nadja Séndig, and Wolfram Koch (Berlin, Germany) Coupled cluster calculations for the S,2 reaction Cl” + CH,Br—CICH, + Br- Stefan Schmatz, Peter Botschwina (Gottingen, Germany), and Hermann Stoll (Stuttgart, Germany) Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons Donald H. Aue, Michele Guidoni (Santa Barbara, CA, USA), and L. D. Betowski (Las Vegas, NV, USA) Structural and electronic characterisation of the organometallic distonic ion (C,H,)Fe* (p-CoH,) Brian F. Yates (Hobart, Australia) Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. I. Electrosprayed ions which are structurally different from their liquid phase precursors Francoise Rogalewicz, Yannik Hoppilliard, and Gilles Ohanessian (Palaiseau, France) Radical cations of DNA bases: some insights on structure and fragmentation patterns by density functional methods Roberto Improta, Giovanni Scalmani, and Vincenzo Barone (Napoli, Italy) Author index Subject index The table of contents of The International Journal of Mass Spectrometry is included in ESTOC—Elsevier Science Tables of Contents service, which can be accessed on the World Wide Web at the following URLs: http://www.elsevier.nl/locate/estoc or http://www.elsevier.com/locate/estoc For more information see URL IJMSP Home Page: http://www.elsevier.nl/locate/ijmsip