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