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