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