| 4349 - 4358 |
Electron localization function studies of the nature of binding in neutral rare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH, and HXeSH
Berski S, Latajka Z, Silvi B, Lundell J |
| 4359 - 4361 |
On the validity of the extended Koopmans' theorem
Pernal K, Cioslowski J |
| 4362 - 4376 |
Uniform semiclassical IVR treatment of the S-matrix
Elran Y, Kay KG |
| 4377 - 4385 |
A dielectric continuum molecular dynamics method
Marchi M, Borgis D, Levy N, Ballone P |
| 4386 - 4389 |
Local and nonlocal approximation for a simple quantum system
Palenberg MA, Silbey RJ, Warns C, Reineker P |
| 4390 - 4405 |
Short range interaction potentials between anions in crystals
Pyper NC |
| 4406 - 4414 |
A physically transparent and transferable compressible ion model for oxides
Marks NA, Finnis MW, Harding JH, Pyper NC |
| 4415 - 4420 |
Toward quantum information processing by nuclear magnetic resonance: Pseudopure states and logical operations using selective pulses on an oriented spin 3/2 nucleus
Sinha N, Mahesh TS, Ramanathan KV, Kumar A |
| 4421 - 4433 |
An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: Magnetic interactions in small metal compounds
Belanzoni P, van Lenthe E, Baerends EJ |
| 4434 - 4440 |
Excited state potential energy surfaces from the inversion of absorption spectra: Removal of a global singularity
Zhu WS, Rabitz H |
| 4441 - 4449 |
Nuclear Fukui function and Berlin's binding function: Prediction of the Jahn-Teller distortion
Balawender R, De Proft F, Geerlings P |
| 4450 - 4456 |
The photodissociation of CH3SCH3 and CD3SCD3 at 220-231 nm investigated by velocity map ion imaging
Martinez-Haya B, Quintana P, Banares L, Samartzis P, Smith DJ, Kitsopoulos TN |
| 4457 - 4460 |
Fourier transform infrared emission spectroscopy of VCl
Ram RS, Bernath PF, Davis SP |
| 4461 - 4471 |
Structures and spectra of iodide-water clusters I-(H2O)(n=1-6): An ab initio study
Lee HM, Kim KS |
| 4472 - 4478 |
The (X)over-tilde (2)Pi and (A)over-tilde (2)Sigma(+) electronic states of the HCSi radical: Characterization of the Renner-Teller effect in the ground state
Sari L, Gonzales JM, Yamaguchi Y, Schaefer HF |
| 4479 - 4489 |
Fine-structure state resolved rotationally inelastic collisions of CH(A (2)Delta,v=0) with Ar: A combined experimental and theoretical study
Kind M, Stuhl F, Tzeng YR, Alexander MH, Dagdigian PJ |
| 4490 - 4495 |
Stark field induced perturbations in the nu(2)+3 nu(3) vibrational overtone band of acetylene
Barnes JA, Gough TE, Stoer M |
| 4496 - 4504 |
Excitation of the symmetry forbidden bending mode in molecular photoionization
Miller JS, Poliakoff ED, Miller TF, Natalense APP, Lucchese RR |
| 4505 - 4521 |
Competing isomeric product channels in the 193 nm photodissociation of 2-chloropropene and in the unimolecular dissociation of the 2-propenyl radical
Mueller JA, Parsons BF, Butler LJ, Qi F, Sorkhabi O, Suits AG |
| 4522 - 4532 |
A multifacet mechanism for the OH+HNO3 reaction: An ab initio molecular orbital/statistical theory study
Xia WS, Lin MC |
| 4533 - 4541 |
The HF stretch red shift as a function of internal energy in Ar-n-HF (n=12,54): Comparisons in the microcanonical ensemble
Curotto E |
| 4542 - 4551 |
Ab initio calculations of excited states in C4H and implications for ultraviolet photodissociation
Graf S, Geiss J, Leutwyler S |
| 4552 - 4564 |
Solute-solute spatial distribution in hydrogen bonding liquids probed with time-dependent intermolecular electron transfer
Tavernier HL, Fayer MD |
| 4565 - 4578 |
Bimolecular kinetics according to a stochastic analysis of reactant dynamics
Moro GJ, Severin MG |
| 4579 - 4590 |
Two-dimensional heterodyned and stimulated infrared photon echoes of N-methylacetamide-D
Zanni MT, Asplund MC, Hochstrasser RM |
| 4591 - 4594 |
Structure of the ambient temperature alkali metal molten salt AlCl3/LiSCN
Lee YC, Price DL, Curtiss LA, Ratner MA, Shriver DF |
| 4595 - 4606 |
Accurate relative pK(a) calculations for carboxylic acids using complete basis set and Gaussian-n models combined with continuum solvation methods
Toth AM, Liptak MD, Phillips DL, Shields GC |
| 4607 - 4617 |
The effect of proton interactions on the conductivity behavior in systems with superionic phases
Pavlenko NI, Stasyuk IV |
| 4618 - 4624 |
Multiple quantum magic-angle spinning using rotary resonance excitation
Vosegaard T, Florian P, Massiot D, Grandinetti PJ |
| 4625 - 4633 |
Heat capacity and turbidity near the critical point of succinonitrile-water
Nowicki AW, Ghosh M, McClellan SM, Jacobs DT |
| 4634 - 4642 |
Effects of induced steric hindrance on the dielectric behavior and H bonding in the supercooled liquid and vitreous alcohol
Johari GP, Kalinovskaya OE, Vij JK |
| 4643 - 4648 |
Rotation in liquid He-4: Lessons from a highly simplified model
Lehmann KK |
| 4649 - 4656 |
Complete femtosecond linear free induction decay, Fourier algorithm for dispersion relations, and accuracy of the rotating wave approximation
Ferro AA, Hybl JD, Jonas DM |
| 4657 - 4662 |
Photoabsorption of dioxasilyrane and silanone groups at the surface of silica
Raghavachari K, Pacchioni G |
| 4663 - 4668 |
Density functional theory studies of the adsorption of ethylene and oxygen on Pt(111) and Pt3Sn(111)
Watwe RM, Cortright RD, Mavrikakis M, Norskov JK, Dumesic JA |
| 4669 - 4684 |
The CO oxidation kinetics on supported Pd model catalysts: A molecular beam/in situ time-resolved infrared reflection absorption spectroscopy study
Libuda J, Meusel I, Hoffmann J, Hartmann J, Piccolo L, Henry CR, Freund HJ |
| 4685 - 4689 |
Physical aging and nanostructure of poly(methyl methacrylate): Effect of methanol
Etienne S, David L, Surovtsev N, Duval E |
| 4690 - 4695 |
Spectral line shapes in dissipative systems: Molecules adsorbed on metal surfaces
Miret-Artes S, Micha DA, Beksic D |
| 4696 - 4701 |
Effect of correlated random copolymers at a liquid-liquid interface: Is it comparable with that of diblock copolymers?
Denesyuk NA |
| 4702 - 4716 |
Role of explicitly cooperative interactions in protein folding funnels: A simulation study
Eastwood MP, Wolynes PG |
| 4717 - 4723 |
Conformational behavior of isolated polymers under an external field in good solvents
Wenczel R, Shew CY |
| 4724 - 4729 |
Statics and dynamics of a single polymer chain confined in a tube
Sheng YJ, Wang MC |
| 4730 - 4740 |
Time-resolved atomic force microscopy imaging studies of asymmetric PS-b-PMMA ultrathin films: Dislocation and disclination transformations, defect mobility, and evolution of nanoscale morphology
Hahm J, Sibener SJ |
| 4741 - 4743 |
Comment on the accuracy of absolute electron-impact ionization cross sections for molecules
Stebbings RF, Lindsay BG |
| 4744 - 4745 |
Comment on "Reaction field treatment of charge penetration"
Cances E, Mennucci B |
| 4746 - 4748 |
Adsorption-desorption kinetics and chemical potential of adsorbed and gas-phase particles
Zhdanov VP |
