| 9899 - 9902 |
Preparation and photoelectron spectrum of the glycine molecular anion: Assignment to a dipole-bound electron species with a high-dipole moment, non-zwitterionic form of the neutral core
Diken EG, Hammer NI, Johnson MA |
| 9903 - 9906 |
Many-body force field models based solely on pairwise Coulomb screening do not simultaneously reproduce correct gas-phase and condensed-phase polarizability limits
Giese TJ, York DM |
| 9907 - 9910 |
A wave packet based statistical approach to complex-forming reactions
Lin SY, Guo H |
| 9911 - 9917 |
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
Goedecker S |
| 9918 - 9924 |
Accurate reaction paths using a Hessian based predictor-corrector integrator
Hratchian HP, Schlegel HB |
| 9925 - 9933 |
Coarse-grained controllability of wavepackets by free evolution and phase shifts
Shapiro EA, Ivanov MY, Billig Y |
| 9934 - 9941 |
Electric fields with ultrasoft pseudo-potentials: Applications to benzene and anthracene
Tobik J, Dal Corso A |
| 9942 - 9951 |
Efficient chemical kinetic modeling through neural network maps
Shenvi N, Geremia JM, Rabitz H |
| 9952 - 9968 |
Decomposition of nuclear magnetic resonance spin-spin coupling constants into active and passive orbital contributions
Grafenstein J, Tuttle T, Cremer D |
| 9969 - 9973 |
On the importance of the "density per particle" (shape function) in the density functional theory
De Proft F, Ayers PW, Sen KD, Geerlings P |
| 9974 - 9983 |
Highly accurate evaluation of atomic three-electron integrals of lowest orders
Harris FE, Frolov AM, Smith VH |
| 9984 - 9988 |
Measurement-assisted coherent control
Gong JB, Rice SA |
| 9989 - 9997 |
Quantum scattering and adiabatic channel treatment of the low-energy and low-temperature capture of a rotating quadrupolar molecule by an ion
Dashevskaya EI, Litvin I, Nikitin EE, Troe J |
| 9998 - 10001 |
The gas-phase chemiionization reaction between samarium and oxygen atoms: A theoretical study
Paulovic J, Gagliardi L, Dyke JM, Hirao K |
| 10002 - 10008 |
Fourier transform infrared emission spectra of MgH and MgD
Shayesteh A, Appadoo DRT, Gordon I, Le Roy RJ, Bernath PF |
| 10009 - 10014 |
The outer valance orbital electron densities of cyclopentane by binary (e,2e) spectroscopy
Deng JK, Li GQ, Wang F, Su GL, Ning CG, Zhang T, Ren XG, Wang Y, Zheng Y |
| 10015 - 10024 |
Intra- and intermolecular energy transfer in highly excited ozone complexes
Ivanov MV, Grebenshchikov SY, Schinke R |
| 10025 - 10032 |
Investigation of photoinduced electron transfer in model system of vitamin E-duroquinone by time-dependent density functional theory
Duan XH, Li ZR, Li XY, Li LM |
| 10033 - 10036 |
Regularities in molecular properties of ground state stable diatomics
Zavitsas AA |
| 10037 - 10045 |
Infrared photodissociation spectroscopy of V+(CO2)(n) and V+(CO2)(n)Ar complexes
Walker NR, Walters RS, Duncan MA |
| 10046 - 10055 |
A discrete time-dependent method for metastable atoms and molecules in intense fields
Peng LY, McCann JF, Dundas D, Taylor KT, Williams ID |
| 10056 - 10061 |
Infrared spectra of X-center dot CO2 center dot Ar cluster anions (X = Cl,Br,I)
Weber JM, Schneider H |
| 10062 - 10068 |
Interaction of benzene thiol and thiolate with small gold clusters
Letardi S, Cleri F |
| 10069 - 10083 |
Jahn-Teller effect in van der Waals complexes: Ar-C6H6+ and Ar-C6D6+
van der Avoird A, Lotrich VF |
| 10084 - 10088 |
Systematic ab initio calculations on the energetics and stability of covalent O-4
Hernandez-Lamoneda R, Ramirez-Solis A |
| 10089 - 10100 |
A theoretical study of the fine and hyperfine interactions in the NCO and CNO radicals
Prasad R |
| 10101 - 10110 |
Hydrogen transfer in excited pyrrole-ammonia clusters
David O, Dedonder-Lardeux C, Jouvet C, Kang H, Martrenchard S, Ebata T, Sobolewski AL |
| 10111 - 10117 |
Effect of anisotropic diffusion and external electric field on the rate of diffusion-controlled reactions
Traytak SD, Barzykin AV, Tachiya M |
| 10118 - 10126 |
Sum-frequency vibrational spectroscopy of chiral liquids off and close to electronic resonance and the antisymmetric Raman tensor
Belkin MA, Shen YR, Harris RA |
| 10127 - 10132 |
Transition state dynamics of N2O4 -><- 2NO(2) in liquid state
Kato T |
| 10133 - 10145 |
Phase coexistence in polydisperse charged hard-sphere fluids: Mean spherical approximation
Kalyuzhnyi YV, Kahl G, Cummings PT |
| 10146 - 10153 |
Early chemistry in hot and dense nitromethane: Molecular dynamics simulations
Manaa MR, Reed EJ, Fried LE, Galli G, Gygi F |
| 10154 - 10162 |
Ions in water: The microscopic structure of concentrated NaOH solutions
Botti A, Bruni F, Imberti S, Ricci MA, Soper AK |
| 10163 - 10171 |
The structure of methane hydrate under geological conditions a combined Rietveld and maximum entropy analysis
Baumert J, Gutt C, Johnson MR, Tse JS, Klug DD, Press W |
| 10172 - 10181 |
Structural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study
Ganster P, Benoit M, Kob W, Delaye JM |
| 10182 - 10187 |
Spinodal and ideal glass limits for metastable liquids
Speedy RJ |
| 10188 - 10193 |
Shear stress relaxation in liquids
Petravic J |
| 10194 - 10199 |
Negative contributions in the velocity correlation function of supercooled liquid water
De Santis A, Ercoli A, Rocca D |
| 10200 - 10214 |
The nuclear magnetic resonance line shapes of Xe in the cages of clathrate hydrates
Jameson CJ, Stueber D |
| 10215 - 10224 |
Site-specific vibrational dynamics of the CD3 zeta membrane peptide using heterodyned two-dimensional infrared photon echo spectroscopy
Mukherjee P, Krummel AT, Fulmer EC, Kass I, Arkin IT, Zanni MT |
| 10225 - 10230 |
Physisorption of molecular oxygen on C-60 thin films
Niklowitz PG, Li ZY, Jardine AP, Luo MF, Allison W |
| 10231 - 10239 |
A molecular-dynamics study of structural and physical properties of nitromethane nanoparticles
Alavi S, Thompson DL |
| 10240 - 10246 |
Modification of the surface electronic and chemical properties of Pt(111) by subsurface 3d transition metals
Kitchin JR, Norskov JK, Barteau MA, Chen JG |
| 10247 - 10256 |
Theoretical studies of the kinetics of methane hydrate crystallization in external electromagnetic fields
English NJ, MacElroy JMD |
| 10257 - 10262 |
Prototype reflectivity analyses of hydrogen storage levels in single-walled carbon nanotubes
Tran NE, Lambrakos SG, Moore PG, Imam MA, Dulcey CS |
| 10263 - 10277 |
Adsorption and vibrational spectroscopy of ammonia at mordenite: Ab initio study
Bucko T, Hafner J, Benco L |
| 10278 - 10284 |
Relation between pressure shift and electric-field shift of single-molecule lines in a polymer glass
Bauer M, Kador L |
| 10285 - 10289 |
Molecular-dynamics analysis of the diffusion of molecular hydrogen in all-silica sodalite
van den Berg AWC, Bromley ST, Flikkema E, Wojdel J, Maschmeyer T, Jansen JC |
| 10290 - 10298 |
Monte Carlo simulation of dendrimers in variable solvent quality
Giupponi G, Buzza DMA |
| 10299 - 10306 |
Modification of statistical threading in two-component pseudorotaxane melts using the amphiphilic approach and variations in the confinement geometry
Rane SS, Mattice WL, Pugh C |
| 10307 - 10316 |
The role of attractive interactions in rod-sphere mixtures
Antypov D, Cleaver DJ |
| 10317 - 10327 |
Theoretical study of the longitudinal first hyperpolarizability of polysilaacetylene
Jacquemin D, Perpete EA, Andre JM |
| 10328 - 10338 |
Monte Carlo simulation of the self-assembly and phase behavior of semiflexible equilibrium polymers
Lu XJ, Kindt JT |
| 10339 - 10340 |
Variation of the secondary relaxation strength in a binary glass former
Kasper G, Reiser A |
| 10341 - 10341 |
Charge carrier mobility in quasi-one-dimensional systems: Application to a guanine stack (vol 119, pg 5690, 2003)
Beleznay FB, Bogar F, Ladik J |
