| 6091 - 6094 |
Crossed beams reaction of atomic carbon, C(P-3(j)), with d(6)-benzene, C6D6(X(1)A(1g)): Observation of the per-deutero-1,2-didehydrocycloheptatrienyl radical, C7D5((XB2)-B-2)
Kaiser RI, Hahndorf I, Huang LCL, Lee YT, Bettinger HF, Schleyer PV, Schaefer HF, Schreiner PR |
| 6095 - 6098 |
Unraveling the mysteries of metastable O-4*
Peterka DS, Ahmed M, Suits AG, Wilson KJ, Korkin A, Nooijen M, Bartlett RJ |
| 6099 - 6102 |
On the photoelectron spectrum of the NO dimer, and the ground state of (NO)(2)(+)
East ALL, Watson JKG |
| 6103 - 6122 |
Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches
Piecuch P, Kucharski SA, Bartlett RJ |
| 6123 - 6127 |
Molecular vibrations and the adiabatic wavefunctions
Vager Z |
| 6128 - 6134 |
What can be stated by the Glansdorff-Prigogine criterion concerning the stability of mass-action kinetic systems?
Wilhelm T, Hanggi P |
| 6135 - 6142 |
The He isoelectronic series and the Hooke's law model: Correlation measures and modifications of Collins' conjecture
Ziesche P, Smith VH, Ho M, Rudin SP, Gersdorf P, Taut M |
| 6143 - 6153 |
Path-integral diffusion Monte Carlo: Calculation of observables of many-body systems in the ground state
Hetenyi B, Rabani E, Berne BJ |
| 6154 - 6157 |
On the question of empirical corrections in ab initio model chemistries
Merrill GN, Gordon MS |
| 6158 - 6170 |
Toward reliable density functional methods without adjustable parameters: The PBE0 model
Adamo C, Barone V |
| 6171 - 6188 |
A size-consistent state-specific multireference coupled cluster theory: Formal developments and molecular applications
Mahapatra US, Datta B, Mukherjee D |
| 6189 - 6197 |
Atom-bond electronegativity equalization method. II. Lone-pair electron model
Wang CS, Yang ZZ |
| 6198 - 6207 |
Fitting classical microcanonical unimolecular rate constants to a modified RRK expression: Anharmonic and variational effects
Song K, Hase WL |
| 6208 - 6218 |
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties
Aucar GA, Saue T, Visscher L, Jensen HJA |
| 6219 - 6228 |
Towards the ab initio determination of strictly diabatic states, study for (NaRb)(+)
Romero T, Aguilar A, Gadea FX |
| 6229 - 6239 |
Direct ab initio calculation of ground-state electronic energies and densities for atoms and molecules through a time-dependent single hydrodynamical equation
Dey BK, Deb BM |
| 6240 - 6245 |
Electron affinities of the oxides of aluminum, silicon, phosphorus, sulfur, and chlorine
Brinkmann NR, Tschumper GS, Schaefer HF |
| 6246 - 6256 |
Photolysis of hydrogen chloride embedded in the first argon solvation shell: Rotational control and quantum dynamics of photofragments
Zdanska P, Schmidt B, Jungwirth P |
| 6257 - 6267 |
Femtosecond laser interactions with methyl iodide clusters. I. Coulomb explosion at 795 nm
Ford JV, Zhong Q, Poth L, Castleman AW |
| 6268 - 6277 |
Infrared spectroscopy of negatively charged water clusters: Evidence for a linear network
Ayotte P, Weddle GH, Bailey CG, Johnson MA, Vila F, Jordan KD |
| 6278 - 6287 |
Accurate 3 dimensional quantum dynamical study of the Ne+H-2(+)-> NeH++H reaction
Gilibert M, Gimenez X, Huarte-Larranaga F, Gonzalez M, Aguilar A, Last I, Baer M |
| 6288 - 6297 |
Photodetachment studies of extended excited states in I-Xen clusters (n = 1-54)
Becker I, Cheshnovsky O |
| 6298 - 6305 |
Resonant two-color photoionization threshold measurements of the Zn+(4s)center dot Ar bond strength: Model-potential analysis of M+(ns)center dot Ar interactions
Leung AWK, Bellert D, Julian RR, Breckenridge WH |
| 6306 - 6318 |
Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with split Wigner pseudospectral approach. II. Improvements and tests of additional potentials
Fellers RS, Braly LB, Saykally RJ, Leforestier C |
| 6319 - 6328 |
Lifetimes of the CO metastable a(3)Pi(v <= 3,ohm,J) levels
Sykora T, Vidal CR |
| 6329 - 6338 |
Hydrogen bonding and cooperative effects in mixed dimers and trimers of methanol and trifluoromethanol: An ab initio study
Parra RD, Zeng XC |
| 6339 - 6352 |
Determination of highly excited rovibrational states for N2O using generalized internal coordinates
Zuniga J, Alacid M, Bastida A, Carvajal FJ, Requena A |
| 6353 - 6364 |
A surprising asymmetric structure for the short-lived excited S-1 state of 4,4 '-bipyridine
De Waele V, Buntinx G, Poizat O, Flament JP, Kassab E |
| 6365 - 6380 |
The inner valence photoionization of acetylene
Wells M, Lucchese RR |
| 6381 - 6388 |
Nuclear magnetic shielding of noble gases in liquid crystals
Ylihautala M, Lounila J, Jokisaari J |
| 6389 - 6405 |
Longitudinal dielectric properties of molecular liquids: Molecular dynamics simulation studies of CH3CN, C6H6, and CO2
Perng BC, Ladanyi BM |
| 6406 - 6411 |
Calculations of the phonon dispersion curves of C2H2, OC(ND2)(2), and Na2CO3 from generic force field
Parlinski K, Chapuis G |
| 6412 - 6420 |
Molecular association between water and dimethyl sulfoxide in solution: A molecular dynamics simulation study
Borin IA, Skaf MS |
| 6421 - 6437 |
A molecular theory of the homogeneous nucleation rate. I. Formulation and fundamental issues
Senger B, Schaaf P, Corti DS, Bowles R, Voegel JC, Reiss H |
| 6438 - 6450 |
A molecular theory of the homogeneous nucleation rate. II. Application to argon vapor
Senger B, Schaaf P, Corti DS, Bowles R, Pointu D, Voegel JC, Reiss H |
| 6451 - 6457 |
Binary nucleation kinetics. IV. Directional properties and cluster concentrations at the saddle point
Wilemski G |
| 6458 - 6462 |
Study of a bimolecular annihilation process for coarsening reactants
Lacasta AM, Sagues F, Sokolov IM, Sancho JM |
| 6463 - 6474 |
Computer simulation of the linear and nonlinear optical properties of liquid benzene: Its local fields, refractive index, and second nonlinear susceptibility
Janssen RHC, Bomont JM, Theodorou DN, Raptis S, Papadopoulos MG |
| 6475 - 6483 |
Evidence for phase separation during the crystallization of hyperquenched glassy clathrate hydrate forming solutions
Tulk CA, Ba Y, Klug DD, McLaurin G, Ripmeester JA |
| 6484 - 6490 |
Transient dielectric and birefringence relaxation of a system of rigid polar particles in strong dc electric fields
Kalmykov YP, Dejardin JL |
| 6491 - 6499 |
Wetting by polymers of a liquid-liquid interface: Effects of short-range interactions and of chain stiffness
van Eijk MCP, Leermakers FAM |
| 6500 - 6510 |
Infrared-laser driven vibrational excitation of relaxing adsorbates: Quantum dynamical aspects
Paramonov GK, Saalfrank P |
| 6511 - 6518 |
Quantum dynamics of an Eley-Rideal gas-surface reaction: Four dimensional planar model for H(D)(gas)+D(H)-Cu(111)
Dai JQ, Light JC |
| 6519 - 6529 |
Atomic classes: Rearrangement processes
Sim E, Patashinski AZ, Ratner MA |
| 6530 - 6537 |
Upper and lower bounds for the kinetics of hard-particle adsorption
Poland D |
| 6538 - 6552 |
Theory and experiment on the cuprous-cupric electron transfer rate at a copper electrode
Halley JW, Smith BB, Walbran S, Curtiss LA, Rigney RO, Sutjianto A, Hung NC, Yonco RM, Nagy Z |
| 6553 - 6559 |
Nematic-isotropic transition in polydisperse systems of infinitely thin hard platelets
Bates MA, Frenkel D |
| 6560 - 6579 |
Self-consistent-field modeling of complex molecules with united atom detail in inhomogeneous systems. Cyclic and branched foreign molecules in dimyristoylphosphatidylcholine membranes
Meijer LA, Leermakers FAM, Lyklema J |
| 6580 - 6582 |
Evaluation of gradient corrections in grid-free density functional theory
Glaesemann KR, Gordon MS |
| 6583 - 6584 |
On nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I-2(-)center dot Ar-n cluster ions (vol 106, pg 7102, 1997)
Batista VS, Coker DF |
