| 7279 - 7282 |
Identification of CH3OH2+ and H3O+-centered cluster isomers from fragment-dependent vibrational predissociation spectra of H+(CH3OH)(4)H2O
Chaudhuri C, Jiang JC, Wang X, Lee YT, Chang HC |
| 7283 - 7292 |
Thermodynamic integration of the free energy along a reaction coordinate in Cartesian coordinates
den Otter WK |
| 7293 - 7299 |
Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution
Canuto S, Coutinho K, Zerner MC |
| 7300 - 7306 |
Evaluation of charge penetration between distributed multipolar expansions
Freitag MA, Gordon MS, Jensen JH, Stevens WJ |
| 7307 - 7312 |
The mechanical strength of a covalent bond calculated by density functional theory
Beyer MK |
| 7313 - 7322 |
Inertial stochastic dynamics. I. Long-time-step methods for langevin dynamics
Beard DA, Schlick T |
| 7323 - 7338 |
Inertial stochastic dynamics. II. Influence of inertia on slow kinetic processes of supercoiled DNA
Beard DA, Schlick T |
| 7339 - 7344 |
Many-body Green's-function calculations on the electronic excited states of extended systems
Hirata S, Bartlett RJ |
| 7345 - 7354 |
Simulation of nonadiabatic wave packet interferometry using classical trajectories
Donoso A, Kohen D, Martens CC |
| 7355 - 7362 |
Optimized effective potential method for polymers
Sule P, Kurth S, Van Doren V |
| 7363 - 7373 |
Iterative determination of several interior eigenstates of large matrices: Application to the determination of light-induced resonances in H-2(+)
Durand P, Paidarova I, Jolicard G, Gemperle F |
| 7374 - 7383 |
Assessment of Gaussian-3 and density functional theories for a larger experimental test set
Curtiss LA, Raghavachari K, Redfern PC, Pople JA |
| 7384 - 7393 |
Rydberg states of propyne at 6.8-10.5 eV studied by two-photon resonant ionization spectroscopy and theoretical calculation
Shieh JC, Chang JL, Wu JC, Li RH, Mebel AM, Handy NC, Chen YT |
| 7394 - 7399 |
Fluorescence lifetimes and predissociation processes in the (B)over-tilde(2)A ' state of CCH
Chiang WY, Hsu YC |
| 7400 - 7408 |
Tunnelling lifetimes of metastable and binding properties of stable covalent BeCn2- (n=4,6) dianions
Dreuw A, Cederbaum LS |
| 7409 - 7415 |
Theoretical study on ammonia cluster ions: Nature of kinetic magic number
Nakai H, Goto T, Okada Y, Orii T, Takeuchi K, Ichihashi M, Kondow T |
| 7416 - 7424 |
Comparison of direct and resonant scattering for H-2+CN(A (2)Pi): Collisional energy transfer versus predissociation of CN(A)-H-2 complexes
Chen YL, Heaven MC |
| 7425 - 7436 |
Spectroscopic constants and potential energy curves of tungsten carbide
Balasubramanian K |
| 7437 - 7442 |
A theoretical study of ion dissociation of H2O2+
Nobusada K, Tanaka K |
| 7443 - 7448 |
Atomization enthalpies and enthalpies of formation of the germanium clusters, Ge-5, Ge-6, Ge-7, and Ge-8 by Knudsen effusion mass spectrometry
Gingerich KA, Schmude RW, Baba MS, Meloni G |
| 7449 - 7460 |
Bond-breaking in quantum state selected clusters: Inelastic and nonadiabatic intracluster collision dynamics in Ar-H2O -> Ar+H(S-2)+OH((2)Pi(+/-)(1/2,3/2);N)
Votava O, Plusquellic DF, Myers TL, Nesbitt DJ |
| 7461 - 7474 |
State-to-state studies of intramolecular energy transfer in highly excited HOOH(D): Dependencies on vibrational and rotational excitation
Kuhn B, Rizzo TR |
| 7475 - 7483 |
Electronic structure and short-range recombination dynamics of S-2 in solid argon
Kiljunen T, Eloranta J, Kunttu H, Khriachtchev L, Pettersson M, Rasanen M |
| 7484 - 7489 |
The ab initio calculated dipole moment surface and overtone relative intensities of CH chromophore in CHCl3
Lin H, Yuan LF, He SG, Wang XG, Zhu QS |
| 7490 - 7504 |
F-19/Na-23 multiple quantum cross polarization NMR in solids
Lim KH, Grey CP |
| 7505 - 7517 |
X-ray and molecular dynamics study of liquid structure in pure methylchloromethane compounds ((CH3)(4-n)CCln)
Rey R, Pardo LC, Llanta E, Ando K, Lopez DO, Tamarit JL, Barrio M |
| 7518 - 7523 |
Contributions to the entropy of a glass and liquid, and the dielectric relaxation time
Johari GP |
| 7524 - 7537 |
The short-time dynamics of molecular reorientation in liquids. I. The instantaneous generalized Langevin equation
Jang JY, Stratt RM |
| 7538 - 7550 |
The short-time dynamics of molecular reorientation in liquids. II. The microscopic mechanism of rotational friction
Jang JY, Stratt RM |
| 7551 - 7556 |
Structure of the equiatomic liquid alloys K-Sb, K-Bi, and Rb-Bi over a wide temperature range
Hochgesand K, Winter R |
| 7557 - 7563 |
Understanding the anomalous 1/t(3) time dependence of velocity correlation function in one dimensional Lennard-Jones systems
Srinivas G, Bagchi B |
| 7564 - 7571 |
Applying molecular theory to steady-state diffusing systems
Frink LJD, Thompson A, Salinger AG |
| 7572 - 7580 |
Shannon information entropies of molecules and functional groups in the self-consistent reaction field
Ho M, Clark BJ, Smith VH, Weaver DF, Gatti C, Sagar RP, Esquivel RO |
| 7581 - 7590 |
Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes
Dysthe DK, Fuchs AH, Rousseau B |
| 7591 - 7599 |
Structure determination of propyne and 3,3,3-trifluoropropyne on Cu(111)
Toomes RL, Lindsay R, Baumgartel P, Terborg R, Hoeft JT, Koebbel A, Schaff O, Polcik M, Robinson J, Woodruff DP, Bradshaw AM, Lambert RM |
| 7600 - 7605 |
A helium atom scattering study of the adsorption of NO on Pt(111)
Fouquet P, Graham AP, Witte G |
| 7606 - 7614 |
Quantitative measurement of guest-host interactions in supramolecular systems: A comparative Brillouin scattering study of the Dianin's compound clathrand and two of its isostructural clathrates
Sandstedt CA, Michalski D, Eckhardt CJ |
| 7615 - 7621 |
Vibrational relaxation of cyanide at the metal/electrolyte interface
Matranga C, Guyot-Sionnest P |
| 7622 - 7626 |
The influence of both coordination number and lattice constant on the nonmetal to metal transition
Yakovkin IN, Dowben PA |
| 7627 - 7633 |
A Monte Carlo study of the pattern formation during transitions in n-alkane crystals
Yamamoto T, Matsumoto S, Hirose M |
| 7634 - 7640 |
Identification of trihalide anions in bis(ethylenedithio)tetrathiafulvalene salts by Raman spectroscopy
Wojciechowski R, Ulanski J, Lefrant S, Faulques E, Laukhina E, Tkacheva V |
| 7641 - 7651 |
Representation of the 6D potential energy surface for a diatomic molecule near a solid surface
Busnengo HF, Salin A, Dong W |
| 7652 - 7659 |
Adsorption and desorption processes of CO on the Pd(110) surface: Isothermal kinetics measurements
Yagi-Watanabe K, Fukutani H |
| 7660 - 7668 |
The role of steps in the dynamics of hydrogen dissociation on Pt(533)
Gee AT, Hayden BE, Mormiche C, Nunney TS |
| 7669 - 7683 |
Complete analysis of the surface-enhanced Raman scattering of pyrazine on the silver electrode on the basis of a resonant charge transfer mechanism involving three states
Arenas JF, Woolley MS, Tocon IL, Otero JC, Marcos JI |
| 7684 - 7692 |
A quantum molecular dynamics study of exciton self-trapping in conjugated polymers: Temperature dependence and spectroscopy
Kobrak MN, Bittner ER |
| 7693 - 7710 |
End-to-end distribution function for dilute polymers
Caracciolo S, Causo MS, Pelissetto A |
| 7711 - 7722 |
A lattice model Monte Carlo study of coil-to-globule and other conformational transitions of polymer, amphiphile, and solvent
Jennings DE, Kuznetsov YA, Timoshenko EG, Dawson KA |
| 7723 - 7734 |
Surface of active polarons: A semiexplicit solvation method for biomolecular dynamics
Kimura SR, Brower RC, Zhang C, Sugimori M |
| 7735 - 7740 |
Diffusion-limited coalescence and annihilation in random media
Mandache C, ben-Avraham D |
