The Journal of Chemical Physics, 2001, V 115, N 15, October 15.
TE Observation of the cyclic water hexamer in solid parahydrogen
AU Mario E.Fajardo and Simon Tam
PP 6807-6810
TE Effects of vibrational excitation of target N_{2} molecule in
charge-transfer reaction of He^{+} with N_{2} at thermal energy
AU Masaharu Tsuji, Takeshi Tsuji, Taro Hamagami, and Kousuke Nakano
PP 6811-6814
ARTICLES
TE Quantum chemistry using the density matrix renormalization group
AU Alexander O.Mitrushenkov, Guido Fano, Fabio Ortolani,
Roberto Linguerri, and Paolo Palmieri
PP 6815-6821
TE Higher order derivatives for nuclear indexes in the framework of
density functional theory
AU E.Chamorro, P.Fuentealba, and R.Contreras
PP 6822-6826
TE Analysis of the linear response function along the adiabatic
connection from the Kohn-Sham to the correlated system
AU Andreas Savin, Francois Colonna, and Marcel Allavena
PP 6827-6833
TE Uncertainty of path integral averages at low temperature
AU T.W.Whitfield and John E.Straub
PP 6834-6840
TE A fourth-order real-space algorithm for solving local
Schroedinger equations
AU J.Auer, E.Krotscheck, and Siu A.Chin
PP 6841-6846
TE Statistical angular correlation coefficients and second
electron-pair moments for atoms
AU Toshikatsu Koga
PP 6847-6852
TE An efficient combination of computational techniques for
investigating electronic resonance states in molecules
AU Robin Santra and Lorenz S.Cederbaum
PP 6853-6861
TE Intermediate Hamiltonian Fock-space coupled cluster method in
the one-hole one-particle sector: Excitation energies of xenon and radon
AU Arie Landau, Ephraim Eliav, Yasuyuki Ishikawa, and Uzi Kaldor
PP 6862-6865
TE Accuracy of free-energy perturbation calculations in molecular
simulation. II. Heuristics
AU Nandou Lu and David A.Kofke
PP 6866-6875
TE A note on quantum thermodynamic rate theories
AU Eli Pollak and Jiushu Shao
PP 6876-6880
TE Practical implementation of the instanton theory for the
ground-state tunneling splitting
AU Gennady V.Mil'nikov and Hiroki Nakamura
PP 6881-6897
TE On the direct evaluation of the equilibrium distribution of
clusters by simulation. II
AU Isamu Kusaka, David W.Oxtoby, and Zhen-Gang Wang
PP 6898-6906
TE Glyoxal photodissociation. II. An ab initio direct classical
trajectory study of C_{2}H_{2}O_{2}-->CO+H_{2}CO
AU Xiaosong Li, John M.Millam, and H.Bernhard Schlegel
PP 6907-6912
TE Gas phase electronic spectrum of C_{3}H in the visible
AU H.Ding, T.Pino, F.Guethe, and J.P.Maier
PP 6913-6919
TE An injection seeded narrow bandwidth pulsed optical parametric
oscillator and its application to the investigation of hyperfine
structure in the PF radical
AU James A.J.Fitzpatrick, Oleg V.Chekhlov, John M.F.Elks,
Colin M.Western, and Stephen H.Ashworth
PP 6920-6930
TE Transition state dynamics of the OH+OH-->O+H_{2}O reaction
studied by dissociative photodetachment of H_{2}O_{2}^{-}
AU Hans-Juergen Deyerl, Todd G.Clements, A.Khai Luong, and Robert E.Continetti
PP 6931-6940
TE Relative stabilities of H- and D-bonded isotopomers of HCN...HF
and HNC...HF
AU Sean A.C.McDowell
PP 6941-6945
TE Conditions conducive to the chemi-ionization reaction
O(^{3}P)+CH(X ^{2}Pi,a ^{4}Sigma^{-})-->HCO^{+}(X^{1}Sigma^{+})+e^{-}
AU Aristophanes Metropoulos and Aristides Mavridis
PP 6946-6950
TE Photoelectron spectroscopy of chlorine dioxide and its negative
ion: A quantum dynamical study
AU Susanta Mahapatra and Gireesh M.Krishnan
PP 6951-6960
TE ArI_{2}(X)-->Ar+I_{2}(B) photodissociation: Comparison between
linear and T-shaped isomers dynamics
AU Octavio Roncero, Bruno Lepetit, J.Alberto Beswick,
Nadine Halberstadt, and Alexei A.Buchachenko
PP 6961-6973
TE The visible laser excitation spectrum of YbOH:
The A~ ^{2}Pi-X~^{2}Sigma^{+} transition
AU Todd C.Melville and John A.Coxon
PP 6974-6978
TE Fourier transform microwave spectroscopy of the ^{2}Sigma^{+}
ground states of YbX (X=F, Cl, Br): Characterization of
hyperfine effects and determination of the molecular geometries
AU C.S.Dickinson, J.A.Coxon, N.R.Walker, and M.C.L.Gerry
PP 6979-6989
TE Methylation effects in state resolved quenching of highly
vibrationally excited azabenzenes (E_{vib}38 500 cm^{-1}). I.
Collisions with water
AU Michael S.Elioff, Maosen Fang, and Amy S.Mullin
PP 6990-7001
TE Intracluster photodimerization of thymine: Size-dependent modes
of cluster ion fragmentation
AU Nam Joon Kim, Hyuk Kang, Gawoon Jeong, Yung Sam Kim,
Kang Taek Lee, and Seong Keun Kim
PP 7002-7005
TE Ab initio simulation of ammonia monohydrate (NH_{3}-H_{2}O) and
ammonium hydroxide (NH_{4}OH)
AU A.D.Fortes, J.P.Brodholt, I.G.Wood, L.Vocadlo, and H.D.B.Jenkins
PP 7006-7014
TE Ab initio ^{1}A' ground potential energy surface and transition
state theory kinetics study of the O(^{1}D)+N_{2}O-->2NO,
N_{2}+O_{2}(a ^{1}Delta_{g}) reactions
AU Miguel Gonzalez, Rosendo Valero, Josep Maria Anglada, and R.Sayos
PP 7015-7031
TE Stabilization of predissociating nitric oxide Rydberg molecules
using microwave and radio-frequency fields
AU Elena Murgu, J.D.D.Martin, and T.F.Gallagher
PP 7032-7040
TE Pyrolysis of sulfur tetrafluoride over boron: Excited-state
rotational spectra and equilibrium structure of fluorothioborine (FBS)
AU L.Bizzocchi and C.Degli Esposti
PP 7041-7050
TE Excited-state orientation-dependent irreversible interconversion
and fluorescence depolarization in organized molecular media. I.Theory
AU J.J.Fisz and M.Buczkowski
PP 7051-7060
TE Alternative configuration interaction expansions for transition
metal ions with intermediate oxidation states in crystals: The
structure and absorption spectrum of Cs_{2}GeF_{6}:Mn^{4+}
AU Zoila Barandiaran and Luis Seijo
PP 7061-7065
TE High-pressure structures of methane hydrate observed up to 8 GPa
at room temperature
AU H.Hirai, Y.Uchihara, H.Fujihisa, M.Sakashita, E.Katoh, K.Aoki,
K.Nagashima, Y.Yamamoto, and T.Yagi
PP 7066-7070
TE Space-dependent self-diffusion processes in molten copper
halides: A molecular dynamics study
AU Olga Alcaraz and Joaquim Trullas
PP 7071-7075
TE Anharmonic effects on photo-induced electron transfer: A
Redfield approach
AU C.Kalyanaraman and D.G.Evans
PP 7076-7085
TE CH_{2}I_{2} fundamental vibrational relaxation in solution
studied by transient electronic absorption spectroscopy
AU Christopher M.Cheatum, Max M.Heckscher, Dieter Bingemann, and F.Fleming Crim
PP 7086-7093
TE Application of time resolved area normalized emission
spectroscopy to multicomponent systems
AU A.S.R.Koti and N.Periasamy
PP 7094-7099
TE Nonequilibrium translational-rotational effects in nucleation
AU D.Reguera and J.M.Rubi
PP 7100-7106
TE Nonadiabatic donor-acceptor electron transfer mediated by a
molecular bridge: A unified theoretical description of the
superexchange and hopping mechanism
AU E.G.Petrov, Ye.V.Shevchenko, V.I.Teslenko, and V.May
PP 7107-7122
TE Contact pair correlation functions and equation of state for
additive hard disk fluid mixtures
AU C.Barrio and J.R.Solana
PP 7123-7129
TE Fluorescence depolarization in organized media. Two-excited-state reactions
controlled by orientation-dependent kinetic rates. I. Theory
AU J.J.Fisz and M.P.Budzinski
PP 7130-7143
TE Primary and secondary effective charges for electrical double
layer systems with asymmetric electrolytes
AU Johan Ulander, Hans Greberg, and Roland Kjellander
PP 7144-7160
TE Dimer-formation in the bis(arene)chromium fulleride
Cr(C_{7}H_{8})_{2} C_{60}
AU Andreas Hoennerscheid, Leo van Wuellen, Martin Jansen,
Juergen Rahmer, and Michael Mehring
PP 7161-7165
TE Templating of cylindrical and spherical block copolymer
microdomains by layered silicates
AU Adriana S.Silva, Cynthia A.Mitchell, Mun Fu Tse, Hsien-C.Wang,
and Ramanan Krishnamoorti
PP 7166-7174
TE Effect of silicate layer anisotropy on cylindrical and spherical
microdomain ordering in block copolymer nanocomposites
AU Ramanan Krishnamoorti, Adriana S.Silva, and Cynthia A.Mitchell
PP 7175-7181
TE A first principles study of methanol decomposition on Pd(111):
Mechanisms for O-H bond scission and C-O bond scission
AU C.J.Zhang and P.Hu
PP 7182-7186
TE Infrared spectroscopy studies of iodoethane on Si(100)-2x1:
Adsorption and thermal decomposition leading to adsorbate ordering
AU Kirill M.Bulanin, Ankit G.Shah, and Andrew V.Teplyakov
PP 7187-7195
TE Ab initio molecular dynamics simulation of the Ag(111)-water interface
AU Sergei Izvekov and Gregory A.Voth
PP 7196-7206
TE Structural relaxation kinetics of antimony borate glasses with
covalent bonding character
AU T.Honma, Y.Benino, T.Komatsu, R.Sato, and V.Dimitrov
PP 7207-7214
TE La@C_{60}: A metallic endohedral fullerene
AU R.Klingeler, G.Kann, I.Wirth, S.Eisebitt, P.S.Bechthold, M.Neeb,
and W.Eberhardt
PP 7215-7218
TE Ab initio study of the electrochemical polymerization mechanism
of omega-diamines
AU Boris Lakard, Guillaume Herlem, and Bernard Fahys
PP 7219-7226
TE Elastic constants from direct correlation functions in nematic
liquid crystals: A computer simulation study
AU Nguyen Hoang Phuong, Guido Germano, and Friederike Schmid
PP 7227-7234
TE Influence of disorder on the photoinduced excitations in phenyl
substituted polythiophenes
AU Christoph J.Brabec, Christoph Winder, Markus C.Scharber,
N.Serdar Sariciftci, Jan C.Hummelen, Mattias Svensson, and Mats R.Andersson
PP 7235-7244
TE Electrostatic complexation of spheres and chains under elastic stress
AU H.Schiessel, R.F.Bruinsma, and W.M.Gelbart
PP 7245-7252
TE Exact results for parallel-chain kinetic models of biological transport
AU Anatoly B.Kolomeisky
PP 7253-7259
TE The local free volume, glass transition, and ionic conductivity
in a polymer electrolyte: A positron lifetime study
AU D.Bamford, G.Dlubek, A.Reiche, M.A.Alam, W.Meyer, P.Galvosas, and F.Rittig
PP 7260-7270
TE Large scale and mesoscopic hydrodynamics for dissipative
particle dynamics
AU M.Ripoll, M.H.Ernst, and P.Espan~ol
PP 7271-7284
TE Conformational kinetics in liquid n-butane by transition path sampling
AU Jorge Ramirez and Manuel Laso
PP 7285-7292
TE Cooperative walks in a cubic lattice: Protein folding as a many-body problem
AU Ariel Fernandez
PP 7293-7297
TE Complexation of DNA with positive spheres: Phase diagram of
charge inversion and reentrant condensation
AU T.T.Nguyen and B.I.Shklovskii
PP 7298-7308
TE Monte Carlo simulation of polymer brushes in narrow pores
AU David Viduna, Zuzana Limpouchova, and Karel Prochazka
PP 7309-7318
TE Isotropic-nematic phase separation in asymmetrical rod-plate mixtures
AU H.H.Wensink, G.J.Vroege, and H.N.W.Lekkerkerker
PP 7319-7329
LETTERS TO THE EDITOR
TE Erratum: "Stoichiometry changes by selective vacancy formation
on (110) surfaces of III-V semiconductors: Influence of
electronic effects" [J. Chem. Phys., v.114, 445 (2001)]
AU U.Semmler, M.Simon, Ph.Ebert, and K.Urban
PP 7330
TE Erratum: "Structures, energies, and vibrational spectra of water undecamer
and dodecamer: An ab initio study" [J. Chem. Phys., v.114, 10749 (2001)]
AU Han Myoung Lee, Seung Bum Suh, and Kwang S.Kim
PP 7331