| 4051 - 4054 |
Tunneling-induced spin alignment at low and zero field
Tomaselli M, Meier U, Meier BH |
| 4055 - 4065 |
Rate constants for diffusive processes by partial path sampling
Moroni D, Bolhuis PG, van Erp TS |
| 4066 - 4073 |
Three-body problem in quantum mechanics: Hyperspherical elliptic coordinates and harmonic basis sets
Aquilanti V, Tonzani S |
| 4074 - 4088 |
A new perspective on the coarse-grained dynamics of fluids
Ayton GS, Tepper HL, Mirijanian DT, Voth GA |
| 4089 - 4097 |
Trajectory approach to dissipative quantum phase space dynamics: Application to barrier scattering
Hughes KH, Wyatt RE |
| 4098 - 4106 |
The one-particle Green's function method in the Dirac-Hartree-Fock framework. I. Second-order valence ionization energies of Ne through Xe
Pernpointner M, Trofimov AB |
| 4107 - 4118 |
Semiclassical tunneling splittings from short time dynamics: Herman-Kluk-propagation and harmonic inversion
Giese K, Kuhn O |
| 4119 - 4128 |
The incomplete beta function law for parallel tempering sampling of classical canonical systems
Predescu C, Predescu M, Ciobanu CV |
| 4129 - 4141 |
W3 theory: Robust computational thermochemistry in the kJ/mol accuracy range
Boese AD, Oren M, Atasoylu O, Martin JML, Kallay M, Gauss J |
| 4142 - 4149 |
On the zirconium oxide neutral cluster distribution in the gas phase: Detection through 118 nm single photon, and 193 and 355 nm multiphoton, ionization
Matsuda Y, Shin DN, Bernstein ER |
| 4150 - 4156 |
On the iron oxide neutral cluster distribution in the gas phase. I. Detection through 193 nm multiphoton ionization
Shin DN, Matsuda Y, Bernstein ER |
| 4157 - 4164 |
On the iron oxide neutral cluster distribution in the gas phase. II. Detection through 118 nm single photon ionization
Shin DN, Matsuda Y, Bernstein ER |
| 4165 - 4171 |
On the copper oxide neutral cluster distribution in the gas phase: Detection through 355 nm and 193 nm multiphoton and 118 nm single photon ionization
Matsuda Y, Shin DN, Bernstein ER |
| 4172 - 4181 |
Low-energy electron scattering by cubane: Resonant states and Ramsauer-Townsend features from quantum calculations in the gas phase
Gianturco FA, Lucchese RR, Grandi A, Sanna N |
| 4182 - 4193 |
Neutral and zwitterionic glycine.H2O complexes: A theoretical and matrix-isolation Fourier transform infrared study
Ramaekers R, Pajak J, Lambie B, Maes G |
| 4194 - 4206 |
Spectroscopic interpretation: The high vibrations of CDBrClF
Jung C, Mejia-Monasterio C, Taylor HS |
| 4207 - 4215 |
Electronic ground states of the V2O4+/0/- species from multireference correlation and density functional studies
Pykavy M, van Wullen C, Sauer J |
| 4216 - 4222 |
Ab initio configuration interaction study of the low-lying (1)Sigma(+) electronic states of LiCl
Weck PF, Kirby K, Stancil PC |
| 4223 - 4230 |
193-nm photodissociation of acryloyl chloride to probe the unimolecular dissociation of CH2CHCO radicals and CH2CCO
Szpunar DE, Miller JL, Butler LJ, Qi F |
| 4231 - 4239 |
State-to-state dynamics of the Cl+CH3OH -> HCl+CH2OH reaction
Bechtel HA, Camden JP, Zare RN |
| 4240 - 4246 |
Ab initio study of the reactions of Ga(P-2, S-2, and P-2) with methane
Pacheco-Sanchez JH, Luna-Garcia H, Castillo S |
| 4247 - 4250 |
The microwave and infrared spectroscopy of benzaldehyde: Conflict between theory and experimental deductions
Speakman LD, Papas BN, Woodcock HL, Schaefer HF |
| 4251 - 4257 |
A density-functional study of Al-doped Ti clusters: TinAl (n=1-13)
Xiang J, Wei SH, Yan XH, You JQ, Mao YL |
| 4258 - 4262 |
Persistence rewarded: Successful observation of the (B)over-tilde (2)Sigma(+)(u)-(X)over-tilde (2)Pi(g) electronic transition of jet-cooled BS2
He SG, Clouthier DJ |
| 4263 - 4272 |
New results for the OH (v=0,j=0)+CO (v=0,j=0)-> H+CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces
Valero R, McCormack DA, Kroes GJ |
| 4273 - 4280 |
An ab initio potential energy surface and predissociative resonances of HArF
Li H, Xie DQ, Guo H |
| 4281 - 4288 |
Energy distributions in multiple photon absorption experiments
Mehlig K, Hansen K, Heden M, Lassesson A, Bulgakov AV, Campbell EEB |
| 4289 - 4296 |
An ab initio study of the ground and valence excited states of GaF
Yang XZ, Lin MR, Zhang BZ |
| 4297 - 4305 |
Infrared laser spectroscopy of jet cooled cobalt tricarbonyl nitrosyl
Trauth KS, Burns WA, Berry G, Reeve SW |
| 4306 - 4315 |
Experimental and theoretical study of proton spin-lattice relaxation in H-2-Ar gas mixtures: Critical examination of the XC(fit) potential energy surface
Sabzyan H, McCourt FRW, Power WP |
| 4316 - 4323 |
Quantum and classical studies of the O(P-3)+H-2(v=0-3,j=0)-> OH+H reaction using benchmark potential surfaces
Braunstein M, Adler-Golden S, Maiti B, Schatz GC |
| 4324 - 4332 |
Microsolvation of N2H+: The nature of interactions in N2H+-(H-2)(n) (n=1-14) complexes
Sheng YH, Roszak S, Leszczynski J |
| 4333 - 4343 |
Investigating bonding in small silicon-carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics
Bertolus M, Finocchi F, Millie P |
| 4344 - 4354 |
Inertial solvent dynamics and the analysis of spectral line shapes: Temperature-dependent absorption spectrum of beta-carotene in nonpolar solvent
Burt JA, Zhao XH, McHale JL |
| 4355 - 4365 |
Electric conductivities of 1 : 1 electrolytes in liquid methanol along the liquid-vapor coexistence curve up to the critical temperature. I. NaCl, KCl, and CsCl solutions
Hoshina T, Tsuchihashi N, Ibuki K, Ueno M |
| 4366 - 4382 |
Investigation of vapor-deposited amorphous ice and irradiated ice by molecular dynamics simulation
Guillot B, Guissani Y |
| 4383 - 4392 |
Amide I vibrational circular dichroism of dipeptide: Conformation dependence and fragment analysis
Choi JH, Cho MH |
| 4393 - 4403 |
Angular resolution and range of dipole-dipole correlations in water
Mathias G, Tavan P |
| 4404 - 4414 |
Particle rearrangements during transitions between local minima of the potential energy landscape of a binary Lennard-Jones liquid
Vogel M, Doliwa B, Heuer A, Glotzer SC |
| 4415 - 4427 |
Particle dynamics and the development of string-like motion in a simulated monoatomic supercooled liquid
Gebremichael Y, Vogel M, Glotzer SC |
| 4428 - 4440 |
Molecular cluster decay viewed as escape from a potential of mean force
Ford IJ, Harris SA |
| 4441 - 4456 |
Bridge mediated two-electron transfer reactions: Analysis of stepwise and concerted pathways
Petrov EG, May V |
| 4457 - 4466 |
Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior
Rajamani S, Ghosh T, Garde S |
| 4467 - 4471 |
Case study of enthalpy-entropy noncompensation
Graziano G |
| 4472 - 4485 |
Tractable molecular theory of transport of Lennard-Jones fluids in nanopores
Bhatia SK, Jepps O, Nicholson D |
| 4486 - 4491 |
Dissociation mechanism of 2-propanol on a Si(111)-(7x7) surface studied by scanning tunneling microscopy
Tanaka K, Nomoto Y, Xie ZX |
| 4492 - 4497 |
Electrorheology in nanopores via lattice Boltzmann simulation
Melchionna S, Succi S |
| 4498 - 4511 |
Photodissociation of hydrogen iodide on the surface of large argon clusters: The orientation of the librational wave function and the scattering from the cluster cage
Slavicek P, Jungwirth P, Lewerenz M, Nahler NH, Farnik M, Buck U |
| 4512 - 4516 |
First principles study of CO oxidation on TiO2(110): The role of surface oxygen vacancies
Wu XY, Selloni A, Nayak SK |
| 4517 - 4529 |
Rotational dynamics of colloidal spheres probed with fluorescence recovery after photobleaching
Lettinga MP, Koenderink GH, Kuipers BWM, Bessels E, Philipse AP |
| 4530 - 4544 |
Ab initio calculation of electrostatic multipoles with Wannier functions for large-scale biomolecular simulations
Sagui C, Pomorski P, Darden TA, Roland C |
| 4545 - 4545 |
Velocity redistribution of excited atoms by radiative excitation transfer. II. Theory of radiation trapping in collimated beams (vol 119, pg 7094, 2003)
Bezuglov NN, Ekers A, Kaufmann O, Bergmann K, Fuso F, Allegrini M |
