| 9911 - 9914 |
A new method for wave packet dynamics: Derivative propagation along quantum trajectories
Trahan CJ, Hughes K, Wyatt RE |
| 9915 - 9925 |
Direct calculation of liquid-vapor phase equilibria from transition matrix Monte Carlo simulation
Errington JR |
| 9926 - 9936 |
Extended methods of molecular dynamic simulations under hydrostatic pressure and or isostress
Aoki KM, Yoneya M, Yokoyama H |
| 9937 - 9942 |
Anion electric field is related to hydration energy
Chipman DM |
| 9943 - 9951 |
Hermite Gaussian auxiliary functions for the variational fitting of the Coulomb potential in density functional methods
Koster AM |
| 9952 - 9962 |
On the properties of the seam and branching spaces of conical intersections in molecules with an odd number of electrons: A group homomorphism approach
Han S, Yarkony DR |
| 9963 - 9970 |
Theoretical and experimental studies on the hydroquinone-argon 1 : 1 complex: A blueshifted O-H-Ar bond
Meenakshi PS, Biswas N, Wategaonkar S |
| 9971 - 9980 |
Infrared photon echo signatures of hydrogen bond connectivity in the cyclic decapeptide antamanide
Moran AM, Park SM, Mukamel S |
| 9981 - 9986 |
Water heptamer with an excess electron: Ab initio study
Lee HM, Suh SB, Kim KS |
| 9987 - 9989 |
Calculation of the Xe-129 chemical shift in Xe@C-60
Sears DN, Jameson CJ |
| 9990 - 9996 |
Thermal decomposition of ethanol. II. A computational study of the kinetics and mechanism for the H+C2H5OH reaction
Park J, Xu ZF, Lin MC |
| 9997 - 10005 |
Theoretical study of the rovibrationally resolved transitions of CaH
Weck PF, Stancil PC, Kirby K |
| 10006 - 10011 |
Collisional intersystem crossing of N-2(a'(1)Sigma(-)(u)) to produce triplet-state molecular nitrogen
Umemoto H, Oku M, Iwai T |
| 10012 - 10023 |
Full-dimensionality quantum calculations of acetylene-vinylidene isomerization
Zou SL, Bowman JM, Brown A |
| 10024 - 10033 |
High-resolution threshold-ionization spectroscopy of NH3
Seiler R, Hollenstein U, Softley TP, Merkt F |
| 10034 - 10041 |
Mass analyzed threshold ionization spectroscopy of indoline cation: Cyclization effect and large amplitude vibrations
Lin JL, Lin JL, Wu RH, Tzeng WB |
| 10042 - 10050 |
Calculation of bound and resonance states of HO2 for nonzero total angular momentum
Zhang H, Smith SC |
| 10051 - 10064 |
Dramatic response effects in the photoionization of the second-row hydrides: A time-dependent density functional investigation
Fronzoni G, Stener M, Decleva P |
| 10065 - 10072 |
Low-lying electronic states of difluorodioxirane
Song J, Khait YG, Wang HF, Hoffmann MR |
| 10073 - 10084 |
The essential role of hydrogen atoms in the electron-phonon interactions in the monocation of cubic hydrocarbon cluster, (CH)(8)
Kato T, Yamabe T |
| 10085 - 10092 |
A quantum mechanical/molecular mechanical approach to the investigation of particle-molecule interactions
Sloth M, Bilde M, Mikkelsen KV |
| 10093 - 10100 |
Dynamics of OH formation in photodissociation of pyruvic acid at 193 nm
Dhanya S, Maity DK, Upadhyaya HP, Kumar A, Naik PD, Saini RD |
| 10101 - 10119 |
Permutational symmetry, isotope effects, side crossing, and singlet-triplet splitting in anthracene center dot He-N (N=1,2) clusters
Heidenreich A, Jortner J |
| 10120 - 10136 |
Acidic protons before take-off: A comparative jet Fourier transform infrared study of small HCl- and HBr-solvent complexes
Farnik M, Weimann M, Suhm MA |
| 10137 - 10148 |
Probing hydrogen bond potential surfaces for out-of-plane geometries: Near-infrared combination band torsional (v(6)) spectroscopy in (HCl)(2)
Farnik M, Davis S, Nesbitt DJ |
| 10149 - 10156 |
Coarse Brownian dynamics for nematic liquid crystals: Bifurcation, projective integration, and control via stochastic simulation
Siettos CI, Graham MD, Kevrekidis IG |
| 10157 - 10163 |
Equation of state theory based on excluded volume
Rusanov AI |
| 10164 - 10173 |
Phase diagrams of Zwanzig models: The effect of polydispersity
Martinez-Raton Y, Cuesta JA |
| 10174 - 10182 |
Ab initio lattice dynamics and structural stability of MgO
Oganov AR, Gillan MJ, Price GD |
| 10183 - 10194 |
Ti-chabazite as a model system of Ti(IV) in Ti-zeolites: A periodic approach
Damin A, Bordiga S, Zecchina A, Doll K, Lamberti C |
| 10195 - 10202 |
Effects of solvent model flexibility on aqueous electrolyte behavior between electrodes
Guymon CG, Hunsaker ML, Harb JN, Henderson D, Rowley RL |
| 10203 - 10211 |
Adsorption-desorption equilibrium and kinetics on surfaces undergoing self-similar reversible reconstruction
Cerofolini GF |
| 10212 - 10220 |
Intermolecular reactivity study to scale adsorption property of para- and meta-substituted nitrobenzene over 2 : 1 dioctahedral smectite
Chatterjee A, Ebina T, Iwasaki T, Mizukami F |
| 10221 - 10226 |
Atomic layer deposition of Al2O3 on H-passivated Si. I. Initial surface reaction pathways with H/Si(100)-2X1
Halls MD, Raghavachari K |
| 10227 - 10243 |
Dynamics of complex interfaces. I. Rheology, morphology, and diffusion
El Afif A, De Kee D, Cortez R, Gaver DP |
| 10244 - 10253 |
Dynamics of complex interfaces. II. Diffusion and morphology
El Afif A, De Kee D, Cortez R, Gaver DP |
| 10254 - 10261 |
Ice nucleation in aqueous solutions of poly[ethylene glycol] with different molar mass
Zobrist B, Weers U, Koop T |
| 10262 - 10275 |
A simulation study of lyotropic isotropic-nematic phase transitions in polydisperse chain systems
Escobedo FA |
| 10276 - 10286 |
Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow
Padding JT, Briels WJ |
| 10287 - 10292 |
Dependence of the viscosity on the chain end dynamics in polymer melts
Paessens M |
| 10293 - 10305 |
Nucleation of stable cylinders from a metastable lamellar phase in a diblock copolymer melt
Wickham RA, Shi AC, Wang ZG |
| 10306 - 10311 |
Stabilization of ion channels due to membrane-mediated elastic interaction
Partenskii MB, Miloshevsky GV, Jordan PC |
| 10312 - 10322 |
Investigating a link between all-atom model simulation and the Ising-based theory on the helix-coil transition. II. Nonstationary properties
Takano M, Nakamura HK, Nagayama K, Suyama A |
| 10323 - 10332 |
Accelerated Stokesian dynamics: Brownian motion
Banchio AJ, Brady JF |
| 10333 - 10342 |
Phase diagram of solutions of stiff-chain macromolecules: A Monte Carlo simulation
Ivanov VA, Stukan MR, Muller M, Paul W, Binder K |
| 10343 - 10348 |
Lattice-model study of the thermodynamic interplay of polymer crystallization and liquid-liquid demixing
Hu WB, Frenkel D, Mathot VBF |
| 10349 - 10350 |
Density functional calculations of the structures and binding energies of Ni2Cn clusters (n=7-11)
Longo RC, Gallego LJ |
| 10351 - 10352 |
Comment on "Direct determination of kinetic fragility indices of glassforming liquids by differential scanning calorimetry: Kinetic versus thermodynamic fragilities'' - [J. Chem. Phys. 117, 10184 (2002)]
Roland CM, Santangelo PG, Robertson CG, Ngai KL |
| 10353 - 10355 |
Response to "Comment on'Direct determination of the fragility indices of glassforming liquids by differential scanning calorimetry: Kinetic versus thermodynamic fragilities'" - [J. Chem. Phys. 118, 10351 (2003)]
Wang LM, Angell CA |
| 10356 - 10356 |
Inhomogeneous gas model for electron mobility in high density neon gas (vol 118, pg 2760, 2003)
Borghesani AF, O'Malley TF |
