Journal of Chemical Physics 1997, V106, N 12, 22 Mar



   Comment on: Successive capture and coagulation of atoms and molecules
    to small clusters in large helium clusters
%A  Michel Macler and Young K.Bae

%T  Reply to the Comment on: Successive capture and coagulation of atoms and
    molecules to small clusters in large liquid helium clusters
%A  M.Lewerenz, B.Schilling, and J.P.Toennies

%T  Pseudospectral localized generalized Moller-Plesset
    methods with a generalized valence bond reference
    wave function. Theory and calculation of conformational energies
%A  Robert B.Murphy, W.Thomas Pollard, and Richard A.Friesner

%T  Semiclassical dynamics in up to 15 coupled vibra-
    tional degrees of freedom
%A  Mark L.Brewer, Jeremy S.Hulme, and David E.Manolopoulos

%T  High resolution laser spectroscopy of the Cs{_2}
    C{^1}{PI}{_u} state. Perturbation and predissociation
%A  Shunji Kasahara, Yasushi Hasui, Kyoko Otsuka, Masaaki Baba,
    Wolfgang Demtroder, and Hajime Kato

%T  From clusters to bulk. A relativistic density functional investigation
    on a series of gold clusters Au{_n}, n = 6 ...147
%A  Oliver D.Haberlen, Sai-Cheong Chung, Mauro Stener, and Notker Rosch

%T  Experimental and theoretical studies of the monolayer structure of OCS
    adsorbed on NaCl(001). Coexistence of orientationally inequivalent phases
%A  S.Picaud, C.Girardet, A.Glebov, J.P.Toennies, J.Dohrmann, and H.Weiss

%T  Transition state barrier height for the reaction
    H{_2}CO -->L H{_2}+CO studied by multireference
    Moller-Plesset perturbation theory
%A  Kenichi Nakayama, Haruyuki Nakano, Kimihiko Hirao, and Michel Dupuis

%T  A high-resolution analysis of the C{^~ 2}A{_1}-X{^~ 2}A{_1}
    transition of CaNH{_2}. Pure precession in polyatomic molecules
%A  Zulfikar Morbi, Chunfeng Zhao, and Peter F.Bernath

%T  Nascent rotational and vibrational state distributions
    of NH(X {^3}{SIGMA}{^-}) and ND(X {^3}{SIGMA}{^-}) produced in the
    reactions of N(2{^2}D) with H{_2} and D{_2}
%A  Hironobu Umemoto, Takashi Asai, and Yuki Kimura

%T  Statistical rate theory description of beam-dosing adsorption kinetics
%A  J.A.W.Elliott and C.A.Ward

%T  Temperature programmed desorption. A statistical rate theory approach
%A  J.A.W.Elliott and C.A.Ward

%T  Self-assembled molecular rectifiers
%A  A.Dhirani, P.-H.Lin, P.Guyot-Sionnest, R.W.Zehner, and L.R.Sita

%T  The torsional conformations of butane. Definitive
    energetics from ab initio methods
%A  Norman L.Allinger, Justin T.Fermann, Wesley D.Allen,
    and Henry F.Schaefer III

%T  Density dependence of the collisional deactivation
    of highly vibrationally excited cycloheptatriene
    in compressed gases, supercritical fluids and liquids
%A  J.Benzler, S.Linkersdorfer, and K.Luthe

%T  Fragmentation of isolated ions by multipole photon
    absorption. A quantitative study
%A  Pierre Boissel, Patrick de Parseval, Philippe Marty, and Georges Lefevre

%T  The vibrational deactivation of CO ({upsilon} = 1) by
    inelastic collisions with H{_2} and D{_2}
%A  J.P.Reid, C.J.S.M.Simpson, and H.M.Quiney

%T  Crossed-beam reaction of carbon atoms with hydrocarbon molecules.
    IV. Chemical dynamics of methylpropargyl radical formation,
    C{_4}H{_5}, from reaction of C({^3}P{_j}) with propylene,
    C{_3}H{_6} (X{^1}A')
%A  R.I.Kaiser, D.Stranges, H.M.Bevsek, Y.T.Lee, and A.G.Suits

%T  Helium dimer potential from symmetry-adapted perturbation theory
    calculations using large Gaussian geminal and orbital basis sets
%A  Tatiana Korona, Hayes L.Williams, Robert Bukowski, Bogumil Jeziorski,
    and Krzysztof Szalewicz

%T  Two-dimensional photoelectron spectroscopy of acetylene.
    Rydberg-valence interaction between the
    (3{sigma}{_g}){^-}{^1}(3p{sigma}{_u}){^1} and
    (3{sigma}{_g}){^-}{^1}(3{sigma}{_u}){^1} states
%A  Hideo Hattori, Yasumasa Hikosaka, Takumi Hikida, and Koichiro Mitsuke

%T  The vibrational spectrum of H{_2}O{_2}{^+.} radical cation.
    An illustration of symmetry breaking
%A  Jan Hrusak and Suehiro Iwata

%T  Oriented molecule photoelectron angular distributions in the vicinity
    of a photoionization shape resonance. CMS-X{alpha} calculations for
    valence ionization of CF{_3}Cl
%A  Ivan Powis

%T  A low-storage filter diagonalization method for quantum eigenenergy
    calculation or for spectral analysis of time signals
%A  Vladimir A.Mandelshtam and Howard S.Taylor

%T  Dynamics of hydrogen atom abstraction in the O{^-} + CH{_4} reaction.
    Product energy disposal and angular distributions
%A  M.A.Carpenter and J.M.Farrar

%T  Photoabsorption and fluorescence cross
    sections of SiCl{_4} in the region of 6.2-31 eV
%A  Toshio Ibuki, Mituhiko Kono, Yukiko Asari, Atsunari Hiraya,
    and Kosuke Shobatake

%T  Density functional results for isotropic and anisotropic multipole
    polarizabilities and C{_6}, C{_7}, and C{_8} Van der Waals
    dispersion coefficients for molecules
%A  V.P.Osinga, S.J.A.van Gisbergen, J.G.Snijders, and E.J.Baerends

%T  Semiclassical-limit molecular dynamics on multiple electronic surfaces
%A  Craig C.Martens and Jian-Yun Fang

%T  Rotational analysis and assignment of the green
    band system of FeH to the e{^6}{PI}-a{^6}{DELTA} transition
%A  Damian M.Goodridge, Robert T.Carter, John M.Brown, and Timothy C.Steimle

%T  The hydroperoxyl radical dimer. Triplet ring or singlet string?
%A  Justin T.Fermann, Brian C.Hoffman, Gregory S.Tschumper,
    and Henry F.Schaefer III

%T  Coupled cluster spectroscopic properties and isomerization pathway for
    the cyanate / fulminate isomer pair, NCO{^-} / CNO{^-}
%A  Youngshang Pak, R.Claude Woods, and Kirk A.Peterson

%T  Comment on: Time-resolved laser induced harpoon reactions
%A  V.A.Apkarian

%T  Polar CdSe nanocrystals. Implications for electronic structure
%A  Mark E.Schmidt, Sean A.Blanton, Margaret A.Hines,
    and Philippe Guyot-Sionnest

%T  The conformation of hard-sphere polymers in hard-
    sphere solution calculated by single-chain
    simulation in a many-body solvent influence functional
%A  Christopher J.Grayce

%T  Theory of solvent effects on electronic absorption spectra of rod-like
    or disk-like solute molecules. Frequency shifts
%A  Hiroyoshi Nagae

%T  Collapse of a ring polymer. Comparison of
    Monte Carlo and Born-Green-Yvon integral equation results
%A  Mark P.Taylor, James L.Mar, and J.E.G.Lipson

%T  Variational energy band theory for polarons.
    Mapping polaron structure with the Merrifield method
%A  Yang Zhao, David W.Brown, and Katja Lindenberg

%T  Spectral hole burning study of electron-phonon coupling in polymers
%A  Indrek Renge

%T  Distributed approximating functional approach to
    the Fokker-Planck equation. Eigenfunction expansion
%A  D.S.Zhang, G.W.Wei, D.J.Kouri, and D.K.Hoffman

%T  A diffusion process-controlled Monte Carlo method
    for finding the global energy minimum of a polypeptide chain.
   I. Formulation and test on a hexadecapeptide
%A  Philippe Derreumaux

%T  Temperature dependence of optical dephasing in
    an organic polymer glass (PMMA) from 300K to 30K
%A  Yutaka Nagasawa, Sean A.Passino, Taiha Joo, and Graham R.Fleming

%T  Light scattering study of viscoelastic properties of a liquid
    gallium surface
%A  V.Kolevzon

%T  Direct observation of abrupt shape transition in
    ferrogels induced by nonuniform magnetic field
%A  M.Zrinyi, L.Barsi, D.Szabo, and H.-G.Kilian

%T  Dielectric relaxation in the lead-iron oxide glass system
%A  S.Mandal and A.Ghosh

%T  Short-range attractions between two colloids in a lipid monolayer
%A  T.Sintes and A.Baumgartner

%T  Separation of time scales in species conversion by
    diffusion-controlled reactions in a binary suspension of spheres
%A  B.U.Felderhof and R.B.Jones

%T  Resonance Raman study of solvent dynamics in
    electron transfer, I.Betaine-30 in CH{_3}CN and CD{_3}CN
%A  Yaping Zong and Jeanne L.McHale

%T  Analysis of salt effects on solubility of noble gases in water using
    the reference interaction site model theory
%A  Masahiro Kinoshita and Fumio Hirata

%T  Evidence of quinonoid structures in the vibrational spectra of
    thiophene based conducting polymers. Poly(thiophene), poly(thieno[3,4-b]
    benzene), and poly(thieno[3,4-b]pyrazine)
%A  Lilee Cuff and Miklos Kertesz

%T  Instantaneous normal mode spectra of quantum clusters
%A  Charusita Chakravarty and Ramakrishna Ramaswamy