Journal of Chemical Physics, 2001, V 114, N 19, 15 May.
TE On the existence of resonances in the H+D_{2}-->HD(v'=0,j'=7)+D
reaction at collision energies 0.6-1.3 eV
AU F.J.Aoiz, L.Ban~ares, and J.F.Castillo
PP 8237-8239
TE Resonantly amplified vibronic symmetry breaking
AU G.J.Rathbone, E.D.Poliakoff, John D.Bozek, and R.R.Lucchese
PP 8240-8243
TE General trends in CO dissociation on transition metal surfaces
AU Zhi-Pan Liu and P.Hu
PP 8244-8247
TE Exact equivalence between the sequential long-range charge
transfer rates and the electric conductances in evaluation of chemical yields
AU YiJing Yan, Xin-Qi Li, and Houyu Zhang
PP 8248-8250
ARTICLES
TE The influence of the molecular charge on potential energy curves
for the proton transfer in electronic ground and excited states
AU Marek Kowal, Szczepan Roszak, and Jerzy Leszczynski
PP 8251-8256
TE The performance of density functional theory for equilibrium
molecular properties of symmetry breaking molecules
AU Ryan D.Cohen and C.David Sherrill
PP 8257-8269
TE Biochemical reaction equilibria from the point of view of a
semigrand partition function
AU Robert A.Alberty
PP 8270-8274
TE A general expression of the exact kinetic energy operator in
polyspherical coordinates
AU Fabien Gatti, Claudio Mun~oz, and Christophe Iung
PP 8275-8281
TE Variational calculations of fermion second-order reduced density
matrices by semidefinite programming algorithm
AU Maho Nakata, Hiroshi Nakatsuji, Masahiro Ehara,
Mitsuhiro Fukuda, Kazuhide Nakata, and Katsuki Fujisawa
PP 8282-8292
TE Molecular lens applied to benzene and carbon disulfide molecular beams
AU Hoi Sung Chung, Bum Suk Zhao, Sung Hyup Lee, Sungu Hwang,
Keunchang Cho, Sang-Hee Shim, Soon-Mi Lim, Wee Kyung Kang, and Doo Soo Chung
PP 8293-8302
TE Electron attachment in HBr and HCl
AU T.Speck, J-L.Le Garrec, S.Le Picard, A.Canosa, J.B.A.Mitchell, and B.R.Rowe
PP 8303-8309
TE Jet spectroscopy of van der Waals dimers of
1-methoxynaphthalene: A laser induced fluorescence study
AU Aloke Das, K.K.Mahato, and Tapas Chakraborty
PP 8310-8315
TE Rotational analysis of the origin and the inversion bands of the
S_{1}<-S_{0} spectrum of acetaldehyde
AU Erko Jalviste, Giel Berden, Marcel Drabbels, and Alec M.Wodtke
PP 8316-8327
TE The stereodynamics of the O(^{1}D)+HD reaction on the ground
1 ^{1}A' and excited 1 ^{1}A" potential energy surfaces
AU F.J.Aoiz, L.Ban~ares, J.F.Castillo, B.Martinez-Haya, and Marcelo P.de Miranda
PP 8328-8338
TE Short-wavelength photolysis of jet-cooled
OClO(^{2}A_{2}nu_{1}>20)-->ClO(X ^{2}Pi_{Omega},v,J)+O(^{3}P_{J})
AU Ralph F.Delmdahl, David H.Parker, and Andre T.J.B.Eppink
PP 8339-8346
TE Transient resonance Raman spectroscopy and density functional
theory investigation of iso-CHBr_{2}Cl and iso-CCl_{3}Br
photoproducts produced following ultraviolet excitation of CHBr_{2}Cl and
CCl_{3}Br
AU Xuming Zheng, Cheong Wan Lee, Yun-Liang Li, Wei-Hai Fang, and David Lee
Phillips
PP 8347-8356
TE pi^{*}-sigma^{*} hyperconjugation mechanism on the rotational
barrier of the methyl group (III): Methyl-azabenzenes in the
ground, excited, and anionic states
AU Y.Kawamura, T.Nagasawa, and H.Nakai
PP 8357-8363
TE Identification of the 3ppi_{u}e' ^{3}Delta_{u} Rydberg state of
O_{2} by (3+1) resonance-enhanced multiphoton-ionization spectroscopy
AU B.R.Lewis, S.T.Gibson, Aurea A.Tucay, Robert Robertson,
Eunsook S.Hwang, Aaron Bergman, and Richard A.Copeland
PP 8364-8371
TE The Cotton-Mouton effect of gaseous CO_{2}, N_{2}O, OCS, and
CS_{2}. A cubic response multiconfigurational self-consistent field study
AU Dan Jonsson, Patrick Norman, Hans Agren, Antonio Rizzo,
Sonia Coriani, and Kenneth Ruud
PP 8372-8381
TE Sum rules for generalized electron-pair moments of Hartree-Fock orbitals
AU Toshikatsu Koga
PP 8382-8385
TE Electronic states and transitions of tellurium fluoride
AU Vidisha Rai, Heinz-Peter Liebermann, Aleksey B.Alekseyev,and Robert J.Buenker
PP 8386-8394
TE A theoretical study of H-Ar-Cl
AU Sean A.C.McDowell
PP 8395-8396
TE A quasiclassical trajectory study of reactivity and product
energy disposal in H+H_{2}O, H+D_{2}O, and H+HOD
AU Diego Troya, Miguel Gonzalez, and George C.Schatz
PP 8397-8413
TE Chemisorption of benzene on metal dimer anions: A study by
photoelectron detachment spectroscopy
AU G.Luettgens, N.Pontius, C.Friedrich, R.Klingeler, P.S.Bechthold,
M.Neeb, and W.Eberhardt
PP 8414-8420
TE Ab initio molecular orbital/Rice-Ramsperger-Kassel-Marcus theory
study of multichannel rate constants for the unimolecular
decomposition of benzene and the H+C_{6}H_{5} reaction over the
ground electronic state
AU A.M.Mebel, M.C.Lin, D.Chakraborty, J.Park, S.H.Lin, and Y.T.Lee
PP 8421-8435
TE Dissociative photodetachment studies of O^{-}(H_{2}O)_{2},
OH^{-}(H_{2}O)_{2}, and the deuterated isotopomers: Energetics
and three-body dissociation dynamics
AU Todd G.Clements, A.Khai Luong, Hans-Juergen Deyerl,
and Robert E.Continetti
PP 8436-8444
TE A full description of the potential curve of the B ^{1}Pi_{u}
state of ^{7}Li_{2}
AU N.Bouloufa, P.Cacciani, R.Vetter, A.Yiannopoulou, F.Martin, and A.J.Ross
PP 8445-8458
TE Electronic and geometric properties of exohedral sodium- and gold-fullerenes
AU B.Palpant, Y.Negishi, M.Sanekata, K.Miyajima, S.Nagao, K.Judai,
D.M.Rayner, B.Simard, P.A.Hackett, A.Nakajima, and K.Kaya
PP 8459-8466
TE The collective dynamical properties of HCl: The transverse
current correlations
AU U.Balucani, D.Pasqualini, G.Sutmann, and R.Vallauri
PP 8467-8472
TE ^{13}C-^{13}C dipolar recoupling under very fast magic angle
spinning in solid-state nuclear magnetic resonance: Applications
to distance measurements, spectral assignments, and
high-throughput secondary-structure determination
AU Yoshitaka Ishii
PP 8473-8483
TE Structures of fused-dimer fluids: A new closure based on the
potential distribution theorems
AU Yurko Duda, Lloyd L.Lee, Yurij Kalyuzhnyi, Walter G.Chapman,
and P.David Ting
PP 8484-8491
TE Resonance Raman intensity analysis of chlorine dioxide dissolved
in chloroform: The role of nonpolar solvation
AU Catherine E.Foster, Bethany P.Barham, and Philip J.Reid
PP 8492-8504
TE Adiabatic nucleation in the liquid-vapor phase transition
AU Elon M.de Sa, Erich Meyer, and Vitorvani Soares
PP 8505-8510
TE Residual dipolar couplings between quadrupolar nuclei in solid
state nuclear magnetic resonance at arbitrary fields
AU Sungsool Wi, Veronica Frydman, and Lucio Frydman
PP 8511-8519
TE Attenuation of homo- and heteronuclear multiple spin echoes by
diffusion
AU Ioan Ardelean, Elke Kossel, and Rainer Kimmich
PP 8520-8529
TE Density functional theory of inhomogeneous fluid mixture based
on bridge function
AU Niharendu Choudhury and Swapan K.Ghosh
PP 8530-8538
TE Acetylene on Si(100) from first principles: adsorption
geometries, equilibrium coverages, and thermal decomposition
AU Pier Luigi Silvestrelli, Flavio Toigo, and Francesco Ancilotto
PP 8539-8545
TE Spatial electron distribution of CO adsorbed on Ni(100) and
Ni(111) surfaces probed by metastable impact electron spectroscopy
AU S.Masuda, R.Suzuki, M.Aoki, Y.Morikawa, R.Kishi, and M.Kawai
PP 8546-8554
TE A density functional study on the adsorption of methanethiolate
on the (111) surfaces of noble metals
AU Yoshinobu Akinaga, Takahito Nakajima, and Kimihiko Hirao
PP 8555-8564
TE Adsorption of branched homopolymers on a solid surface
AU Alberto Striolo and John M.Prausnitz
PP 8565-8572
TE Electron transport across fractal-like nanocrystalline clusters
in N^{+} ion-beam induced poly
AU A.Das, S.Dhara, and A.Patnaik
PP 8573-8582
TE Inelastic effects in dissociative sticking of diatomic molecules on metals
AU G.P.Brivio, T.B.Grimley, and M.I.Trioni
PP 8583-8595
TE Molecular fluorescence in the vicinity of a nanoscopic probe
AU H.F.Hamann, M.Kuno, A.Gallagher, and D.J.Nesbitt
PP 8596-8609
TE Polymer melt droplets adsorbed on a solid wall: A Monte Carlo simulation
AU Andrey Milchev and Kurt Binder
PP 8610-8618
TE Structure of a two-component mixture of sticky hard-sphere
fluids in a planar gap
AU A.Jamnik
PP 8619-8627
TE Hybrid interfaces of poly(9,9-dioctylfluorene) employing thin
insulating layers of CsF: A photoelectron spectroscopy study
AU G.Greczynski, M.Fahlman, and W.R.Salaneck
PP 8628-8636
TE Wormlike chains in the large-d limit
AU Per Lyngs Hansen and Rudi Podgornik
PP 8637-8648
TE Colloidal crystal: bead-spring lattice immersed in viscous media
AU Yuichi Nobi Ohshima and Izumi Nishio
PP 8649-8658
TE Studies of a weak polyampholyte at the air-buffer interface: The
effect of varying pH and ionic strength
AU Pietro Cicuta and Ian Hopkinson
PP 8659-8670
TE High concentration crossovers of polyelectrolyte solutions
AU K.Nishida, K.Kaji, and T.Kanaya
PP 8671-8677
TE Finding the collapse-inducing nucleus in a folding protein
AU Ariel Fernandez, Gustavo A.Appignanesi, and Andres Colubri
PP 8678-8684
TE Zero-shear stress relaxation and long time dynamics of a linear
polyethylene melt: A test of Rouse theory
AU J.T.Padding and W.J.Briels
PP 8685-8693
TE Pulling hairpinned polynucleotide chains: Does base-pair
stacking interaction matter?
AU Haijun Zhou and Yang Zhang
PP 8694-8700
TE Brownian dynamics study of dynamic scaling and related freezing
criteria in quasi-two-dimensional dispersions
AU Raphaeel Pesche, Markus Kollmann, and Gerhard Naegele
PP 8701-8707
TE Nonequilibrium structure and rheology of concentrated colloidal
suspensions: Linear response
AU Grzegorz Szamel
PP 8708-8717
TE Glasses and proteins: Similarities and differences in their
spectral diffusion dynamics
AU J.Schlichter and J.Friedrich
PP 8718-8721
LETTERS TO THE EDITOR
TE Erratum: "The adsorption conformation of chemisorbed pyridine on
the Cu(110) surface" [J. Chem. Phys., v.114, 1414 (2001)]
AU J.-G.Lee, J.Ahner, and J.T.Yates, Jr.
PP 8722