Journal of Chemical Physics, 1999, V 111, N 6, 8 Aug.


TE Electron spin resonance and theoretical studies of the
   {^14}N{^...14}N and {^15}N{^...15}N spin-pair radicals in neon
   matrices: The effects of mixing among the {^1}{SIGMA}{_g}{^+},
   {^3}{SIGMA}{_u}{^+}, {^5}{SIGMA}{_g}{^+} and {^7}{SIGMA}{_u}{^+}
   electronicstates
AU Lon B.Knight, Jr., Benjamin A.Bell, Daryl P.Cobranchi,
   and Ernest R.Davidson

TE Observation of linear isomers of the ionized rare gas tetramers
   Ar{_4}{^+} and Xe{_4}{^+}
AU B.v.Issendorff, A.Hofmann, and H.Haberland

TE The rotational spectrum of rhomboidal SiC{_3}
AU A.J.Apponi, M.C.McCarthy, C.A.Gottlieb, and P.Thaddeus

TE Comment on: Improving protein circular dichroism calculations in
   the far-ultraviolet through reparaetrizing the amide chromophore
   [J. Chem. Phys. 109, 782 (1998)]
AU Robert W.Woody and Narasimha Sreerama

TE Reply to the Comment on: Improving protein circular dichroism
   calculations in the far-ultraviolet through reparameterizing the
   amide chromophore [J. Chem. Phys. 109, 782 (1998)]
AU Jonathan D.Hirst and Nicholas A.Besley

TE Electron attachment to oxygen clusters studied with high energy
   resolution
AU S.Matejcik, P.Stampfli, A.Stamatovic, P.Scheier, and T.D.Mark

TE Spectroscopic characterization of the weakly bound
   Ca(4s4d{sigma}{^3}D{_3}){^.}Ar({^3}{SIGMA}{^+}) state: Evidence
   substantial maximum in the potential curve at long range
AU Allen W.K.Leung, John G.Kaup, D.Bellert John G.McCaffrey,
   and W.H.Breckenridge

TE The near infrared, visible and near ultraviolet overtone
   spectrum of water
AU M.Carleer, A.Jenouvrier, A.-C.Vandaele, P.F.Bernath,
   M.F.Merienne, R.Colin, N.F.Zobov Oleg L.Polyansky,
   Jonathan Tennyson, and V.A.Savin

TE Rotational-resolved pulsed field ionization photoelectron study
   of NO{^+}(X{^1}{SIGMA}{^+}, v{^+}=0-32) in the energy range of
   9.24-16.80 eV
AU G.K.Jarvis, M.Evans, C.Y.Ng, and K.Mitsuke

TE Vibrational spectroscopy of methanol and acetoitrile clusters in
   cold helium droplets
AU Michael Behrens, Ralf Frochtenicht, Matthias Hartmann,
   Jorg-Gerald Siebers, Udo Buck, and Fred C.Hagemeister

TE Differential cross sections for
   H + D{_2} --> HD (v'=2, J'=0,3,5) + D at 1.55 eV
AU Felix Fernandez-Alonso, Brian D.Bean, and Richard N.Zare

TE Electron diffraction studies of metal phthaloyanines, MPc, where
   M = Sn, Mg and Zn (reinestigation)
AU Chong-yu Ruan, Vladimir Mastryukov, and Manfred Fink

TE The electronic structure of MoC and WC by anion photoelectron
   spectroscopy
AU Xi Li, Sherry S.Liu, Wenwu Chen, and Lai-Sheng Wang

TE Rotational state-to-state rate constants and pressure broadening
   coefficients for He - C{_2}H{_2} collisions. Theory and
   experiment
AU T.G.A.Heijmen, R.Moszynski, P.E.S.Wormer, Ad van der Avoird,
   A.D.Rudert, J.B.Halpern, J.Martin, W.B.Gao, and H.Zacharias

TE The calculation of molecular parameters for a molecule with an
   internal rotor
AU Yun-Bo Duan, Li Wang, Xudong T.Wu, Indranath Mukhopadhyay,
   and Kojiro Takagi

TE The one-atom cage effect in I{_2}(B)-Ar: Evidence that caging is
   inefficient for the T-shaped isoer
AU Amy Burroughs, Todd Van Marter, and Michael C.Heaven

TE Photodissociation of Ar - HCl: An energy-resolved study of the
   dynamics of total fragmentation into H + Ar + Cl
AU J.C.Juanes-Marcos and A.Garcia-Vela

TE Torsional motion and vibrational overtone specroscopy of methanol
AU V.Hanninen, M.Horn, and L.Halonen

TE Photodissociation of gas phase I{^-}{_3} using femtoecond
   photoelectron spectroscopy
AU Martin T.Zanni, B.Jefferys Greenblatt, Alison V.Davis,
   and Daniel M.Neumark

TE Fluorescence quenching by reversible excimer formaion: Kinetic
   study on the basis of generalized, non-Markovian rate equations
AU Wolfgang Naumann

TE Bonding in hypohalous acids HOX (X=F, Cl, Br and I) from the
   topological analysis of the electron localisation function (ELF)
AU Slawomir Berski, Bernard Silvi, Zdzislaw Latajka,
   and Jerzy Leszczynski

TE On the nature of electronic excitations in
   poly(parahenylenevinylene): A quantum-chemical investigation
AU D.Beljonne, Z.Shuai, J.Cornil, D.A.dos Santos, and J.L.Bredas

TE Time-dependent density functional calculations on the electronic
   absorption spectrum of free base porphin
AU S.J.A.van Gisbergen, A.Rosa, G.Ricciardi, and E.J.Baerends

TE Assignment of the infrared spectra of the methanol trimer
AU Gregory S.Tschumper, Jason M.Gonzales, and Henry F.Schaefer III

TE On the strongly bound B{^3}{PI} state of the CAr van der Waals
   complex: Bonding and predissoiation
AU Karl Sohlberg and David R.Yarkony

TE Bond configurations in the Peierls-Hubbard model of small
   ring-shaped molecules
AU E.Liviotti, F.Ubertini, and P.Erdos

TE Physical and mathematical content of coupled-cluster equations.
   IV. Impact of approximations to the cluser operator on the
   structure of solutions
AU K.Jankowski and K.Kowalski

TE Range definitions for Gaussian type charge distriutions in fast
   multipole methods
AU Konstantin N.Kudin and Gustavo E.Scuseria

TE Ab initio calculation of the interaction potential for the
   krypton dimer; the use of bond function basis sets
AU Fu-Ming Tao

TE The infrared spectrum of the NO dimer cation. Problems for
   density functional theory and a muddled relationship to
   experiment
AU Yaoming Xie, Henry F.Schaefer, III, Xiao-Yuan Fu,
   and Ruo-Zhuang Liu

TE Fractional power dependence of mean lifetime of electron
   transfer reaction on viscosity of solvent
AU Akira Okada

TE A single-bond approach to orientation-dependent interactions and
   its implications for liquid water
AU Thomas M.Truskett, Pablo G.Debenedetti, and Salvatore Torquato

TE Quadratic response of molecules in a nonequilirium and
   equilibrium solvation model: Generaizations to include both
   singlet and triplet perturbations
AU Tina D.Poulsen, Peter R.Ogilby, and Kurt V.Mikkelsen

TE Effects of excited state mixing on transient absortion spectra
   in dimers. Application to photosynhetic light-harvesting complex
   II
AU Leonas Valkunas, Vilmantas Cervinskas, Gediminas Trinkunas,
   Marc G.Muller, and Alfred R.Holzwarth

TE Complexation to macromolecules with a large number of sites
AU Josep Lluis Garces, Francesc Mas, and Jaume Puy

TE The structure of fluid argon from high-pressure neutron
   diffraction and ab initio MD-simulations
AU Till Pfleiderer, Isabella Waldner, Helmut Bertagnolli,
   Klaus Toedheide, Barbara Kirchner, Hanspeter Huber,
   and Henry E.Fischer

TE Droplet size dependence upon volume expansion rate
AU Wm.T.Ashurst and Brad Lee Holian

TE Path integral centroid variables and the formuation of their
   exact real time dynamics
AU Seogjoo Jang and Gregory A.Voth

TE A derivation of centroid molecular dynamics and other
   approximate time evolution methods for path integral centroid
   variables
AU Seogjoo Jang and Gregory A.Voth

TE Exponential intermolecular dynamics in optical Kerr effect
   spectroscopy of small-molecule liquids
AU Brian J.Loughnane, Alessandra Scodinu, Richard A.Farrer,
   John T.Fourkas, and Udayan Mohanty

TE Erratum: An advanced dielectric continuum approach for treating
   solvation effects: Time correlation functions. I. Local
   treatments [J. Chem. Phys. 108, 1103 (1998)]
AU M.V.Basilevsky, D.F.Parsons, and M.V.Vener

TE Surface properties of diluted aqueous solutions of
   1,2-pentanediol
AU Jacek Glinski, Guy Chavepeyer, and Jean-Karl Platten

TE Shear induced fluctuations and fluctuation-length transition in
   quasi-flexible polymer in solution of hydrogen-bond enhancing
   solvent
AU Yoshisuke Tsunashima and Hiroyuki Kawanishi

TE Dynamical properties of the soft sticky dipole model of water:
   Molecular dynamics simulations
AU Amalendu Chandra and Toshiko Ichiye

TE A transition state theory approach to adsorbate dynamics at
   arbitrary loadings
AU Canan Tunca and David M.Ford

TE Scattered and recoiled ion fractions from LiTaO{_3}(100)
   surfaces with different electrical properties
AU Y.Kim, S.S.Kim, E.Ada, Y.L.Yang, A.J.Jacobson, and J.W.Rabalais

TE Diffusion and evaporation kinetics of large islands and
   vacancies on surfaces
AU Alan Lo and Rex T.Skodje