| 2973 - 2976 |
Relativistic, nearly basis-set-limit nuclear magnetic shielding constants of the rare gases He-Rn: A way to absolute nuclear magnetic resonance shielding scales
Vaara J, Pyykko P |
| 2977 - 2984 |
Appropriate methods to combine forward and reverse free-energy perturbation averages
Lu ND, Singh JK, Kofke DA |
| 2985 - 2998 |
A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients
Hald K, Halkier A, Jorgensen P, Coriani S, Hattig C, Helgaker T |
| 2999 - 3005 |
Quantum path minimization: An efficient method for global optimization
Liu P, Berne BJ |
| 3006 - 3019 |
Local treatment of electron excitations in the EOM-CCSD method
Korona T, Werner HJ |
| 3020 - 3034 |
New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties
Bourasseau E, Haboudou M, Boutin A, Fuchs AH, Ungerer P |
| 3035 - 3042 |
Basis set and correlation dependent extrapolation of correlation energy
Huh SB, Lee JS |
| 3043 - 3051 |
Energy relaxation and quenching processes of doped rare-gas clusters with a shell-like geometric structure
Laarmann T, von Haeften K, Wabnitz H, Moller T |
| 3052 - 3064 |
A survey of ab initio conical intersections for the H+H-2 system
Halasz G, Vibok A, Mebel AM, Baer M |
| 3065 - 3078 |
Time-resolved x-ray Raman spectroscopy of photoexcited polydiacetylene oligomer: A simulation study
Tanaka S, Volkov S, Mukamel S |
| 3079 - 3082 |
Variational calculations of excited states with zero total angular momentum (vibrational spectrum) of H-2 without use of the Born-Oppenheimer approximation
Bubin S, Adamowicz L |
| 3083 - 3089 |
Photodissociation of bromoform cation at 308, 355, and 610 nm by means of time-of-flight mass spectroscopy and ion velocity imaging
Huang JH, Xu DD, Francisco JS, Jackson WM |
| 3090 - 3095 |
Kinetic-energy release in Coulomb explosion of metastable C3H52+
Gluch K, Fedor J, Matt-Leubner S, Echt O, Stamatovic A, Probst M, Scheier P, Mark TD |
| 3096 - 3101 |
A semiclassical study of the effects of rotation on the unimolecular dissociation of HN2 and DN2
Guo Y, Thompson DL |
| 3102 - 3110 |
Direct Monte Carlo simulation of chemical reaction systems: Prediction of ultrafast detonations
Anderson JB, Long LN |
| 3111 - 3123 |
Quantum reactive scattering calculations of cross sections and rate constants for the N(D-2)+O-2(X (3)Sigma(-)(g))-> O(P-3)+NO(X (2)Pi) reaction
Miquel I, Gonzalez M, Sayos R, Balint-Kurti GG, Gray SK, Goldfield EM |
| 3124 - 3130 |
Energy dependence of the Penning ionization electron spectrum of Ne-*(3s P-3(2,0))+Ar
Jacobs BA, Rice WA, Siska PE |
| 3131 - 3140 |
Second-order quadrupole-shielding effects in magic-angle spinning solid-state nuclear magnetic resonance
Wi S, Ashbrook SE, Wimperis S, Frydman L |
| 3141 - 3147 |
Two-channel vibrational relaxation of H-2 by He: A bridge between the Landau-Teller and Bethe-Wigner limits
Dashevskaya EI, Kunc JA, Nikitin EE, Oref I |
| 3148 - 3153 |
Superhyperfine interactions in inhomogeneously broadened paramagnetic centers observed via a hole-burned free induction decay
Drew SC, Pilbrow JR, Newman PJ, MacFarlane DR |
| 3154 - 3160 |
Experimental and theoretical aspects of proton transfer in 3-methyl-6-hydroxy-m-phthalic acid
Mandal A, Mitra S, Banerjee D, Bhattacharyya SP, Mukherjee S |
| 3161 - 3165 |
Continuum predictions from molecular dynamics simulations: Shock waves
Root S, Hardy RJ, Swanson DR |
| 3166 - 3176 |
Kinetics of heterogeneous nucleation for low mean cluster populations
Bhatt JS, Ford IJ |
| 3177 - 3186 |
Pressure and temperature dependence of structural relaxation in diglycidylether of bisphenol A
Paluch M, Roland CM, Gapinski J, Patkowski A |
| 3187 - 3196 |
Multiphoton intrapulse interference. II. Control of two- and three-photon laser induced fluorescence with shaped pulses
Lozovoy VV, Pastirk I, Walowicz KA, Dantus M |
| 3197 - 3214 |
Temperature induced changes on the structure and the dynamics of the "tetrahedral" glasses and melts of ZnCl2 and ZnBr2
Yannopoulos SN, Kalampounias AG, Chrissanthopoulos A, Papatheodorou GN |
| 3215 - 3221 |
Ethylene glycol dimers in the liquid phase: A study by x-ray and neutron diffraction
Bako I, Grosz T, Palinkas G, Bellissent-Funel MC |
| 3222 - 3232 |
Study of photoisomerization of azo dyes in liquid crystals
Statman D, Janossy I |
| 3233 - 3236 |
No "delayed" muonium-formation in organic liquids
Walker DC, Karolczak S, Porter GB, Gillis HA |
| 3237 - 3242 |
On the mechanism of transient bleaching of the optical absorption of ferrofluids and dyed liquids
Hoffmann B, Kohler W, Krekhova M |
| 3243 - 3251 |
Nuclear magnetic resonance dephasing effects in a spherical pore with a magnetic dipolar field
Valckenborg RME, Huinink HP, Kopinga K |
| 3252 - 3257 |
Polymer adsorption on nanoheterogeneous surfaces: Impact of size and density of heterogeneous sites
Chun KY, Huang YW, Gupta VK |
| 3258 - 3267 |
Comparison and evaluation of several models for fitting the frequency response of dispersive systems
Macdonald JR |
| 3268 - 3276 |
Density functional calculations of hydrogen adsorption on palladium-silver alloy surfaces
Lovvik OM, Olsen RA |
| 3277 - 3282 |
Temperature dependence of luminescent spectra and dynamics in nanocrystalline Y2O3 : Eu3+
Peng HS, Song HW, Chen BJ, Wang JW, Lu SZ, Kong XG, Zhang JH |
| 3283 - 3293 |
Rectification of laser-induced electronic transport through molecules
Lehmann J, Kohler S, Hanggi P, Nitzan A |
| 3294 - 3299 |
Precursor states of atomic hydrogen on the Si(100)-(2X1) surface
Tok ES, Engstrom JR, Kang HC |
| 3300 - 3311 |
Electron-phonon coupling in negatively charged cubane and octasilacubane
Kato T, Yamabe T |
| 3312 - 3328 |
CO oxidation on thin Pt crystals: Temperature slaving and the derivation of lumped models
Cisternas J, Holmes P, Kevrekidis IG, Li XJ |
| 3329 - 3333 |
Effect of compressed CO2 on the size and stability of reverse micelles: Small-angle x-ray scattering and phase behavior study
Zhang JL, Han BX, Liu JC, Zhang XG, Yang GY, He J, Liu ZM, Jiang T, Wang J, Dong BZ |
| 3334 - 3341 |
The dynamics of the dissociative adsorption of methane on Pt(533)
Gee AT, Hayden BE, Mormiche C, Kleyn AW, Riedmuller B |
| 3342 - 3349 |
Investigation of the folding profiles of evolutionarily selected model proteins
Nelson E, Grishin N |
| 3350 - 3361 |
Phase behavior and concentration fluctuations in suspensions of hard spheres and nearly ideal polymers
Shah SA, Chen YL, Schweizer KS, Zukoski CF |
| 3362 - 3367 |
On the bulk modulus of the cell model of charged macromolecules suspensions
Tellez G, Trizac E |
| 3368 - 3375 |
Air shear driven flow of thin perfluoropolyether polymer films
Scarpulla MA, Mate CM, Carter MD |
| 3376 - 3391 |
Rotational diffusion of two-segmented macromolecules with a ball-socket joint: A kinetic theory approach
Adland HM, Mikkelsen A |
| 3392 - 3400 |
Chain length dependence of the state diagram of a single stiff-chain macromolecule: Theory and Monte Carlo simulation
Stukan MR, Ivanov VA, Grosberg AY, Paul W, Binder K |
| 3401 - 3412 |
Calculation of the dielectric permittivity profile for a nonuniform system: Application to a lipid bilayer simulation
Stern HA, Feller SE |
| 3413 - 3420 |
Master equation approach to finding the rate-limiting steps in biopolymer folding
Zhang WB, Chen SJ |
| 3421 - 3429 |
Dynamics of poly(ethylene oxide) in nanoscale confinements: A computer simulations perspective
Kuppa V, Manias E |
| 3430 - 3436 |
An analysis of poly(lactic acid) with varying regio regularity
Kang SH, Zhang GZ, Aou K, Hsu SL, Stidham HD, Yang XZ |
| 3437 - 3438 |
Higher accuracy quantum Monte Carlo calculations of the barrier for the H+H-2 reaction
Riley KE, Anderson JB |
| 3439 - 3440 |
Comment on "Does lattice vibration drive diffusion in zeolites?" [J. Chem. Phys. 114, 3776 (2001)]
Suffritti GB, Demontis P, Ciccotti G |
| 3441 - 3442 |
Response to "Comment on'Does lattice vibration drive diffusion in zeolites?' " [J. Chem. Phys. 114, 3776 (2001)]
Kopelevich DI, Chang HC |
