Journal of Chemical Physics

Journal of Chemical Physics, Vol.112, No.15 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (55 articles)

6507 - 6510	A quantitative study of non-Condon effects in the S2O (C)over-tilde ->(X)over-tilde emission spectrum Iachello F, Perez-Bernal F, Muller T, Vaccaro PH
6511 - 6514	Measurement of radiation damping rate constants in nuclear magnetic resonance by inversion recovery and automated compensation of selective pulses Chen JH, Cutting B, Bodenhausen G
6515 - 6516	The singlet-triplet separation in dichlorocarbene: A surprising difference between theory and experiment Barden CJ, Schaefer HF
6517 - 6531	Efficient real-space approach to time-dependent density functional theory for the dielectric response of nonmetallic crystals Kootstra F, de Boeij PL, Snijders JG
6532 - 6542	A complete basis set model chemistry. VII. Use of the minimum population localization method Montgomery JA, Frisch MJ, Ochterski JW, Petersson GA
6543 - 6553	Mixed quantum-classical surface hopping dynamics Nielsen S, Kapral R, Ciccotti G
6554 - 6562	Maximum-entropy calculation of energy distributions Poland D
6563 - 6570	A dipole-bound dianion Skurski P, Simons J
6571 - 6575	Density functional study of carbonic acid clusters Ballone P, Montanari B, Jones RO
6576 - 6582	Infrared spectra of the CS2-, CS2+, and C2S4+ molecular ions in solid neon and argon Zhou MF, Andrews L
6583 - 6589	Photodissociation spectroscopy of Ca+(C2H4) Holmes JH, Kleiber PD, Olsgaard DA, Yang KH
6590 - 6602	OH vibrational activation and decay dynamics of CH4-OH entrance channel complexes Wheeler MD, Tsiouris M, Lester MI, Lendvay G
6603 - 6607	The third-order polarizability gamma of C-60: The role of low-lying two-electron excited singlet states A(g) and H-g Nomura Y, Miyamoto T, Hara T, Narita S, Shibuya T
6608 - 6624	Theoretical investigation of the eight low-lying electronic states of the cis- and trans-nitric oxide dimers and its isomerization using multiconfigurational second-order perturbation theory (CASPT2) Sayos R, Valero R, Anglada JM, Gonzalez M
6625 - 6634	Proton-transport catalysis and proton-abstraction reactions: An ab initio dynamical study of X+HOC+ and XH++CO (X=Ne, Ar, and Kr) Collins MA, Petrie S, Chalk AJ, Radom L
6635 - 6642	Ab initio calculation of energies and lifetimes of metastable dianions: The C-2(2-) resonance Sommerfeld T, Tarantelli F, Meyer HD, Cederbaum LS
6643 - 6648	Solvent-induced stabilization of the naphthalene anion by water molecules: A negative cluster ion photoelectron spectroscopic study Lyapustina SA, Xu SK, Nilles JM, Bowen KH
6649 - 6655	Time-resolved k(E-*) measurements for dissociation of allyl iodide vibrationally excited via C-H overtones (v=6) Baklanov AV, Aldener M, Lindgren B, Sassenberg U
6656 - 6665	Photodissociation dynamics of propyne at 157 nm Harich S, Lin JJ, Lee YT, Yang X
6666 - 6677	The resonant Auger electron spectrum of C 1s(-1)pi(*) excited ethene: A combined theoretical and experimental investigation Fink RF, Sorensen SL, de Brito AN, Ausmees A, Svensson S
6678 - 6688	The electronic origin and vibrational levels of the first excited singlet state of isocyanic acid (HNCO) Berghout HL, Crim FF, Zyrianov M, Reisler H
6689 - 6699	Rotational and translational energy distributions of CN(v=0,J) from the hot atom reactions: H+XCN -> HX+CN(v=0,J), where X=Br, Cl, and CN He G, Tokue I, Macdonald RG
6700 - 6706	Fluorescence and electronic absorption spectra of phthalan: Two-dimensional vibrational potential energy surface for the ring-puckering and flapping in the S-1(pi,pi(*)) state Bondoc E, Sakurai S, Morris K, Chiang WY, Laane J
6707 - 6715	Low-energy electron-energy-loss spectroscopy of condensed acetone: Electronic transitions and resonance-enhanced vibrational excitations Lepage M, Michaud M, Sanche L
6716 - 6718	A phenomenological description of the anomalous behavior of the electrical double layer at low temperatures Henderson D
6719 - 6724	Effects of bath relaxation on dissipative two-state dynamics Cao JS
6725 - 6732	Impulsive stimulated thermal scattering study of structural relaxation in supercooled glycerol Paolucci DM, Nelson KA
6733 - 6738	Sequential addition of particles: Integral equations Wang Q, Danwanichakul P, Glandt ED
6739 - 6744	High pressure Raman scattering studies on adamantane Rao RH, Sakuntala T, Deb SK, Roy AP, Vijaykumar V, Godwal BK, Sikka SK
6745 - 6748	Calculations on the stability of low temperature solid nitrogen phases Fabianski R, Kuchta B, Firlej L, Etters RD
6749 - 6756	Microscopic calculation of surface linear optical response in crystals of para-nitroaniline Malagoli M, Munn RW
6757 - 6762	Microscopic calculation of surface-induced second-harmonic generation in crystals of para-nitroaniline Malagoli M, Munn RW
6763 - 6773	Microscopic calculations of linear and quadratic optical response in model Langmuir-Blodgett multilayers Panhuis MIH, Munn RW
6774 - 6778	Asymmetry and rectification in the tunnel current of a nanometer-sized metal-conjugated polymer-metal junction Yau ST, Zhang C, Innis PC
6779 - 6786	Modeling proton mobility in acidic zeolite clusters. I. Convergence of transition state parameters from quantum chemistry Fermann JT, Blanco C, Auerbach S
6787 - 6794	Modeling proton mobility in acidic zeolite clusters: II. Room temperature tunneling effects from semiclassical rate theory Fermann JT, Auerbach S
6795 - 6803	Pattern formation in restricted geometries: The NO+CO reaction on Pt(100) Hartmann N, Kevrekidis Y, Imbihl R
6804 - 6816	Sum frequency generation orientation analysis of molecular ammonia on the surface of concentrated solutions Simonelli D, Shultz MJ
6817 - 6826	Adsorption of water on the NaCl(001) surface. II. An infrared study at ambient temperatures Foster MC, Ewing GE
6827 - 6833	Adsorption of water on the NaCl(001) surface. III. Monte Carlo simulations at ambient temperatures Engkvist O, Stone AJ
6834 - 6839	Molecular wire conductance: Electrostatic potential spatial profile Mujica V, Roitberg AE, Ratner M
6840 - 6843	Tuning surface reactivity by in situ surface nanostructuring Costantini G, de Mongeot FB, Rusponi S, Boragno C, Valbusa U, Vattuone L, Burghaus U, Savio L, Rocca M
6844 - 6850	Self-diffusion and interaction of the polystyrene-polyisoprene blend in chloroform probed by quasielastic light scattering Sun Z, Wang CH
6851 - 6862	Molecular dynamics of folding of secondary structures in Go-type models of proteins Hoang TX, Cieplak M
6863 - 6872	Effective interaction between monolayers of block copolymer compatiblizer in a polymer blend Thompson RB, Matsen MW
6873 - 6885	Measurements of homogeneous nucleation in normal-alkanes Kraack H, Sirota EB, Deutsch M
6886 - 6896	Two-step phase separation of a polymer mixture. I. New scaling analysis for the main scattering peak Hashimoto T, Hayashi M, Jinnai H
6897 - 6909	Two-step phase separation of a polymer mixture. II. Time evolution of structure factor Hayashi M, Jinnai H, Hashimoto T
6910 - 6916	A Monte Carlo study of the structural properties of end-linked polymer networks Gilra N, Cohen C, Panagiotopoulos AZ
6917 - 6924	Simulated phase behavior of reversibly assembled polymers Fodi B, Hentschke R
6925 - 6932	Equilibrium and nonequilibrium effects of a single polymer chain during cyclic deformation: A Monte Carlo study Kreitmeier S
6933 - 6937	Lifetime of spatially heterogeneous dynamic domains in polystyrene melts Wang CY, Ediger MD
6938 - 6938	Comment on "Frequency-dependent polarizabilities, hyperpolarizabilities, and excitation energies from time-dependent density-functional theory based on the quasienergy derivative method" [J. Chem. Phys. 111, 2878 (1999)] Banerjee A, Harbola MK
6939 - 6939	Response to "Comment on ＇Frequency-dependent polarizabilities, hyperpolarizabilities, and excitation energies from time-dependent density-functional theory based on the quasienergy derivative method＇ " [J. Chem. Phys. 112, 6938 (2000)] Aiga F, Tada T, Yoshimura R
6940 - 6940	A new (and better) lower bound for the excess internal energy of the one-component plasma (vol 111, pg 9695 1999) Caillol JM