The Journal of Chemical Physics, 2001, V 115, N 13, October 1.
TE O_{2}-N_{2} photochemistry in the present and Precambrian atmosphere
AU Edward C.Zipf and Sheo S.Prasad
PP 5703-5706
TE Mass spectra and photoelectron spectroscopy of negatively
charged benzene clusters, (benzene)_{n}^{-} (n=53-124)
AU Masaaki Mitsui, Atsushi Nakajima, Koji Kaya, and Uzi Even
PP 5707-5710
TE Large enhancement in dissociative electron attachment to HCl
adsorbed on H_{2}O ice via transfer of presolvated electrons
AU Q.-B.Lu and L.Sanche
PP 5711-5713
TE Fabrication and photoluminescence of ordered GaN nanowire arrays
AU J.Zhang, L.D.Zhang, X.F.Wang, C.H.Liang, X.S.Peng, and Y.W.Wang
PP 5714-5717
ARTICLES
TE Efficient localized Hartree-Fock methods as effective
exact-exchange Kohn-Sham methods for molecules
AU Fabio Della Sala and Andreas Goerling
PP 5718-5732
TE A theoretical model for molecules interacting with intense laser
pulses: The Floquet-based quantum-classical Liouville equation
AU Illia Horenko, Burkhard Schmidt, and Christof Schuette
PP 5733-5743
TE Fluctuations and asymmetry via local Lyapunov instability in the
time-reversible doubly thermostated harmonic oscillator
AU Wm.G.Hoover, H.A.Posch, and Carol G.Hoover
PP 5744-5750
TE Calculation of product state distributions from resonance decay
via Lanczos subspace filter diagonalization: Application to HO_{2}
AU Hong Zhang and Sean C.Smith
PP 5751-5758
TE Energy versus amplitude corrected coupled-cluster approaches. I
AU Xiangzhu Li and Josef Paldus
PP 5759-5773
TE Energy versus amplitude corrected coupled-cluster approaches.
II. Breaking the triple bond
AU Xiangzhu Li and Josef Paldus
PP 5774-5783
TE Response properties and stability conditions in density matrix
functional theory
AU Jerzy Cioslowski and Katarzyna Pernal
PP 5784-5790
TE Reconstruction of frozen-core all-electron orbitals from pseudo-orbitals
AU Balazs Hetenyi, Filippo De Angelis, Paolo Giannozzi, and Roberto Car
PP 5791-5795
TE Can ordinary single-reference coupled-cluster methods describe
potential energy surfaces with nearly spectroscopic accuracy?
The renormalized coupled-cluster study of the vibrational spectrum of HF
AU Piotr Piecuch, Stanislaw A.Kucharski, Vladimir Spirko, and Karol Kowalski
PP 5796-5804
TE Statistical mechanics of quantum-classical systems
AU Steve Nielsen, Raymond Kapral, and Giovanni Ciccotti
PP 5805-5815
TE Simulation of A~ ^{1}B_{1}-->X~ ^{1}A_{1} CF_{2} single vibronic
level emissions: Including anharmonic and Duschinsky effects
AU Foo-Tim Chau, John M.Dyke, Edmond P.F.Lee, and Daniel K.W.Mok
PP 5816-5822
TE Photodissociation spectroscopy of Zn^{+}(C_{2}H_{4})
AU W.-Y.Lu, P.D.Kleiber, M.A.Young, and K.-H.Yang
PP 5823-5829
TE Coalescence of C_{20} fullerenes
AU Rudolf Ehlich, Peter Landenberger, and Horst Prinzbach
PP 5830-5835
TE lambda and gamma reversal: The dissociation-limit region of the
B ^{3}Sigma_{u}^{-} state of O_{2}
AU K.Waring, B.R.Lewis, K.G.H.Baldwin, and S.T.Gibson
PP 5836-5842
TE Vibrational and collision energy effects on the reaction of
CH_{3}CHO^{+} with methanol
AU Ho-Tae Kim, Jianbo Liu, and Scott L.Anderson
PP 5843-5858
TE Valence one-electron and shake-up ionization bands of polycyclic
aromatic hydrocarbons. I. Benzene, naphthalene, anthracene,
naphthacene, and pentacene
AU Michael S.Deleuze, Alexander B.Trofimov, and Lorenz S.Cederbaum
PP 5859-5882
TE The complex of HF_{2}^{-} and H_{2}O: A theoretical study
AU G.P.Li, B.Reinhart, and I.P.Hamilton
PP 5883-5890
TE Reaction mechanism and isotope effects derived from centroid
transition state theory in intramolecular proton transfer reactions
AU Radu Iftimie and Jeremy Schofield
PP 5891-5902
TE Successive mechanism of double-proton transfer in formic acid
dimer: A classical study
AU Hiroshi Ushiyama and Kazuo Takatsuka
PP 5903-5912
TE Comparison of ab initio and density functional calculations of
electric field gradients: The ^{57}Fe nuclear quadrupole moment
from Moessbauer data
AU Peter Schwerdtfeger, Tilo Soehnel, Markus Pernpointner,
Jon K.Laerdahl, and Friedrich E.Wagner
PP 5913-5924
TE Two-photon vibronic spectra of vinyl chloride at 7.3-10 eV
AU Jia-lin Chang, Runhua Li, Jen-Chieh Wu, Jau-Chin Shieh,
and Yit-Tsong Chen
PP 5925-5931
TE Coupled cluster study of the X~ ^{2}Pi and A~ ^{2}Sigma^{+}
electronic states of the HCGe radical: Renner-Teller splitting
and the effects of relativistic corrections
AU Levent Sari, Yukio Yamaguchi, and Henry F.Schaefer III
PP 5932-5942
TE Complete characterization of the a ^{6}Delta state of the FeH radical
AU Catherine Wilson, Helen M.Cook, and John M.Brown
PP 5943-5956
TE Electric dipole polarizabilities of Ni_{12-58}
AU Mark B.Knickelbein
PP 5957-5964
TE On the dynamics of rotationally broad, spatially aligned wave packets
AU Tamar Seideman
PP 5965-5973
TE Nonadiabatic interactions between the ground and low-lying
excited electronic states: Vibronic states of the Cl-HCl complex
AU Petra Zdanska, Dana Nachtigallova, Petr Nachtigall,
and Pavel Jungwirth
PP 5974-5983
TE Interaction potentials of LiH, NaH, KH, RbH, and CsH
AU N.Geum, G.-H.Jeung, A.Derevianko, R.Cote, and A.Dalgarno
PP 5984-5988
TE Control, with a rf field, of photon emission times by a single
molecule and its connection to laser-induced localization of an
electron in a double well
AU Dmitrii E.Makarov and Horia Metiu
PP 5989-5993
TE Nuclear spin-spin coupling in silane and its isotopomers: Ab
initio calculation and experimental investigation
AU Stephan P.A.Sauer, William T.Raynes, and Robert A.Nicholls
PP 5994-6006
TE Fourier transform millimeter-wave spectroscopy of chlorocarbene (HCCl)
AU Satoshi Yamamoto, Hideta Habara, Eunsook Kim, and Hiroyuki Nagasaka
PP 6007-6011
TE Photodissociation of the dibromomethane cation at 355 nm by
means of ion velocity imaging
AU Jianhua Huang, Dadong Xu, William H.Fink, and William M.Jackson
PP 6012-6017
TE Structure and stability of fluorine-substituted benzene-argon
complexes: The decisive role of exchange-repulsion and
dispersion interactions
AU P.Tarakeshwar, Kwang S.Kim, Elfi Kraka, and Dieter Cremer
PP 6018-6029
TE Energetics and cooperativity in three-center hydrogen bonding
interactions. I. Diacetamide-X dimers (X=HCN, CH_{3}OH)
AU Ruben D.Parra, Makoto Furukawa, Bing Gong, and X.C.Zeng
PP 6030-6035
TE Energetics and cooperativity in three-center hydrogen bonding
interactions. II. Intramolecular hydrogen bonding systems
AU Ruben D.Parra, Bing Gong, and X.C.Zeng
PP 6036-6041
TE Infrared fluorescence of Xe_{2} molecules in electron/proton
beam excited pure Xe gas and in an Ar/Xe gas mixture
AU A.F.Borghesani, G.Bressi, G.Carugno, E.Conti, and D.Iannuzzi
PP 6042-6050
TE Approach of the critical point of gas-liquid transitions in an
electrostatically stabilized colloidal suspension
AU F.Cousin, E.Dubois, and V.Cabuil
PP 6051-6057
TE Effects of vibrational energy relaxation and reverse reaction on
electron transfer kinetics and fluorescence line shapes in solution
AU R.Aldrin Denny, Biman Bagchi, and Paul F.Barbara
PP 6058-6071
TE The low temperature reactive tunneling in condensed phase. I.
The rate expression
AU M.V.Basilevsky and G.V.Davidovitch
PP 6072-6082
TE The low-temperature reactive tunneling in condensed phase. II.
Multidimensional transition model
AU M.V.Basilevsky and G.V.Davidovitch
PP 6083-6094
TE C-rotational echo double resonance: Heteronuclear dipolar
recoupling with homonuclear dipolar decoupling
AU Jerry C.C.Chan and Hellmut Eckert
PP 6095-6105
TE Structure of the triplet excited state of bromanil from
time-resolved resonance Raman spectra and simulation
AU Mrinalini Puranik, Siva Umapathy, Jaap G.Snijders, and Jayaraman
Chandrasekhar
PP 6106-6114
TE Influence of solute-solvent interactions on the local solvent
density augmentation in supercritical fluids: An integral
equation study
AU Aurelien Perera
PP 6115-6129
TE The escaped charge problem in solvation continuum models
AU Eric Cances and Benedetta Mennucci
PP 6130-6135
TE Magic number behavior for heat capacities of medium-sized
classical Lennard-Jones clusters
AU D.D.Frantz
PP 6136-6157
TE Solvation of ion-pair states in nonpolar media: I_{2} in solid
neon, argon and krypton
AU Jan Helbing and Majed Chergui
PP 6158-6172
TE Electron transfer reactions at metal electrodes: Influence of
work function on free energy of activation and exchange current density
AU S.Harinipriya and M.V.Sangaranarayanan
PP 6173-6178
TE Novel nonlinear optical organic materials: Dithienylethylenes
AU B.Sahraoui, I.V.Kityk, I.Fuks, B.Paci, P.Baldeck, J.-M.Nunzi,
P.Frere, and J.Roncali
PP 6179-6184
TE Monte Carlo computer simulation of spreading pressure-area
isotherms of Langmuir monolayers of fatty-acid molecules
AU Antonino Polimeno, J.Marijin Ros, and Yehudi K.Levine
PP 6185-6191
TE Nearly constant loss or constant loss in ionically conducting
glasses: A physically realizable approach
AU J.Ross Macdonald
PP 6192-6199
TE Wetting on a geometrically structured substrate
AU L.Bruschi, A.Carlin, and G.Mistura
PP 6200-6203
TE Racemic and chiral structures of banana-shaped smectic liquid
crystals viewed as one-dimensional piezoelectric crystals
AU Chen-Xu Wu, Yoshitake Yamazaki, and Ou-Yang Zhong-can
PP 6204-6209
TE Coarse-grained interactions in polymer melts: A variational
approach
AU Reinier L.C.Akkermans and W.J.Briels
PP 6210-6219
TE Equation of state of model branched alkanes: Theoretical
predictions and configurational bias Monte Carlo simulations
AU Luis G.MacDowell, Carlos Vega, and Eduardo Sanz
PP 6220-6235
TE Monte Carlo simulation studies of the correlation between global
size and helical structures in biopolymers
AU Gerhard Zifferer, Mark Hofstetter, and Oskar Friedrich Olaj
PP 6236-6242
TE Micelle formation of randomly grafted copolymers in slightly
selective solvents
AU Adam Kreig, Amy A.Lefebvre, Hyeok Hahn, Nitash P.Balsara,
Shuyan Qi, Arup K.Chakraborty, Maria Xenidou,
and Nikos Hadjichristidis
PP 6243-6251
TE The bridging conformations of double-end anchored
polymer-surfactants destabilize a hydrogel of lipid membranes
AU N.L.Slack, P.Davidson, M.A.Chibbaro, C.Jeppesen, P.Eiselt,
H.E.Warriner, H.-W.Schmidt, P.Pincus, and C.R.Safinya
PP 6252-6257
TE Novel method to estimate solubility of small molecules in
cis-polyisoprene by molecular dynamics simulations
AU Hiroaki Kikuchi, Satoru Kuwajima, and Mitsuhiro Fukuda
PP 6258-6265
LETTERS TO THE EDITOR
TE Test of variational transition state theory with
multidimensional tunneling contributions against an accurate
full-dimensional rate constant calculation for a six-atom system
AU Jingzhi Pu, Jose C.Corchado, and Donald G.Truhlar
PP 6266-6267
TE Erratum: "Nonexponentiality of time dependent survival
probability and the fractional viscosity dependence of the rate
in diffusion controlled reactions in a polymer chain" [J. Chem.
Phys. 114, 9170 (2001)]
AU Goundla Srinivas, Arun Yethiraj, and Biman Bagchi
PP 6268