| 5967 - 5973 |
Effective Hamiltonians in Floquet theory of magic angle spinning using van Vleck transformation
Ramesh R, Krishnan MS |
| 5974 - 5981 |
A "fast growth" method of computing free energy differences
Hendrix DA, Jarzynski C |
| 5982 - 5992 |
On the density matrix based approach to time-dependent density functional response theory
Furche F |
| 5993 - 5999 |
Exploring the idea of self-guided dynamics
Lahiri A, Nilsson L, Laaksonen A |
| 6000 - 6006 |
The ab initio model potential method with the spin-free relativistic scheme by eliminating small components Hamiltonian
Motegi K, Nakajima T, Hirao K, Seijo L |
| 6007 - 6013 |
Positive definiteness of entropy production in the nonlinear Robertson formalism
Nettleton RE |
| 6014 - 6029 |
Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities
Parthiban S, Martin JML |
| 6030 - 6040 |
CH-stretching overtone spectra of a fast rotating methyl group. I. Toluene C6D5CH3
Cavagnat D, Lespade L |
| 6041 - 6050 |
CH-stretching overtone spectra of a fast rotating methyl group. II. Toluenes C6D5CH2D and C6D5CHD2
Cavagnat D, Lespade L |
| 6051 - 6057 |
Theoretical and experimental studies of the dissociation dynamics of methaniminium cation, CH2NH2+-> CHNH++H-2: Reaction path bifurcation
Choi TH, Park ST, Kim MS |
| 6058 - 6067 |
Determination of an ethane intermolecular potential model for use in molecular simulations from ab initio calculations
Rowley RL, Yang Y, Pakkanen TA |
| 6068 - 6071 |
Structural and electronic properties of C-36
Gueorguiev GK, Pacheco JM |
| 6072 - 6076 |
Mobilities of NH4+(NH3)(n) clusters in helium from 100 K to 298 K
Midey AJ, Viggiano AA |
| 6077 - 6085 |
Analysis of the Na-2 2(3)Sigma(+)(g)-> a(3)Sigma(+)(u) continua: Potentials and transition moment function
Ivanov VS, Sovkov VB, Li L, Lyyra AM, Whang TJ, Magnier S |
| 6086 - 6099 |
Ab initio study of the vibronic spectrum in the X (2)Pi electronic state of HCCS
Peric M, Marian CM, Peyerimhoff SD |
| 6100 - 6106 |
Submillimeter wave vibration-rotation spectroscopy of Ar center dot CO and Ar center dot ND3
Melnik DG, Gopalakrishnan S, Miller TA, De Lucia FC, Belov S |
| 6107 - 6111 |
Observation of exciplex emission from the mixed dimer of naphthalene and 2-methoxynaphthalene: A laser-induced fluorescence study in supersonic jet
Das A, Mahato KK, Chakraborty T |
| 6112 - 6118 |
Kinetics of the reaction of O-2(+) with CH4 from 500 to 1400 K: A case for state specific chemistry
Dotan I, Viggiano AA |
| 6119 - 6127 |
Ab initio investigation of the potential energy profiles for the gas phase CH4+O-2(+)((2)Pi(g)) reaction system
Irle S, Morokuma K |
| 6128 - 6133 |
Photodissociation of acetaldehyde: The CH4+CO channel
Gherman BF, Friesner RA, Wong TH, Min ZY, Bersohn R |
| 6134 - 6141 |
Infrared spectra of the CO-H2O 1-1 cluster trapped in an argon matrix
Abe H, Yamada KMT |
| 6142 - 6150 |
Laser induced fluorescence spectroscopy of the (A)over-tilde (3)Pi(i)<-(X)over-tilde (3)Sigma(-) transition of the CCS radical
Schoeffler AJ, Kohguchi H, Hoshina K, Ohshima Y, Endo Y |
| 6151 - 6159 |
Ground state normal mode analysis: Linking excited state dynamics and experimental observables
Kurtz L, Hofmann A, de Vivie-Riedle R |
| 6160 - 6165 |
State-to-state rate constants for the rotational relaxation of CH(B (2)Sigma(-),v=0,J) in inelastic collisions with Ar
Kind M, Stuhl F |
| 6166 - 6179 |
Finite element method for two-dimensional vibrational wave functions: Theory and application to van der Waals molecules
Dudley TJ, Pandey RR, Staffin PE, Hoffmann MR, Schatz GC |
| 6180 - 6189 |
Spectroscopy and reactivity of size-selected Mg+-methanol clusters
Lee JI, Sperry DC, Farrar JM |
| 6190 - 6202 |
Interaction of water and dichlorine in the gas phase: An investigation of H2O center dot Cl-2 by rotational spectroscopy and ab initio calculations
Davey JB, Legon AC, Thumwood JMA |
| 6203 - 6219 |
Temperature dependence of the structure of a 0.06 mole fraction tertiary butanol-water solution
Bowron DT, Soper AK, Finney JL |
| 6220 - 6228 |
Nonideality in the composition dependence of viscosity in binary mixtures
Srinivas G, Mukherjee A, Bagchi B |
| 6229 - 6235 |
Configurational temperature profile in confined fluids. I. Atomic fluid
Delhommelle J, Evans DJ |
| 6236 - 6241 |
Configurational temperature profile in confined fluids. II. Molecular fluids
Delhommelle J, Evans DJ |
| 6242 - 6248 |
Modified surface fluctuations by impurity binding in amphiphilic dispersions
Goldman C |
| 6249 - 6258 |
Symmetry breaking effects in NO3-: Raman spectra of nitrate salts and ab initio resonance Raman spectra of nitrate-water complexes
Waterland MR, Stockwell D, Kelley AM |
| 6259 - 6264 |
Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations
Sousa C, de Graaf C, Pacchioni G |
| 6265 - 6275 |
Diffusion-controlled reactions: A revisit of Noyes' theory
Van Beijeren H, Dong W, Bocquet L |
| 6276 - 6285 |
The Enskog theory for transport coefficients of simple fluids with continuous potentials
Miyazaki K, Srinivas G, Bagchi B |
| 6286 - 6295 |
Phase-coherent light scattering spectroscopy. I. General principle and polarized dynamic light scattering
Tanaka H, Takagi S |
| 6296 - 6302 |
Phase-coherent light scattering spectroscopy. II. Depolarized dynamic light scattering
Takagi S, Tanaka H |
| 6303 - 6314 |
Hydrophobicity in a simple model of water: Entropy penalty as a sum of competing terms via full, angular expansion
Silverstein KAT, Dill KA, Haymet ADJ |
| 6315 - 6326 |
Computer simulation of surface and adatom properties of Lennard-Jones solids: A comparison between face-centered-cubic and hexagonal-close-packed structures
Somasi S, Khomami B, Lovett R |
| 6327 - 6334 |
Adsorption of linear hydrocarbons in zeolites: A density-functional investigation
Benco L, Demuth T, Hafner J, Hutschka F, Toulhoat H |
| 6335 - 6342 |
Density profile evolution and nonequilibrium effects in partial and full spreading measurements of surface diffusion
Nikunen P, Vattulainen I, Ala-Nissila T |
| 6343 - 6352 |
Monte Carlo simulation of polymer brushes attached to a spherical surface
Lindberg E, Elvingson C |
| 6353 - 6363 |
Surface reaction of nitrogen with liquid group III metals
Romanowski Z, Krukowski S, Grzegory I, Porowski S |
| 6364 - 6370 |
Simulation of material properties below the Debye temperature: A path-integral molecular dynamics case study of quartz
Muser MH |
| 6371 - 6381 |
Dynamics of ice layers deposited on MgO(001): Quasielastic neutron scattering experiments and molecular dynamics simulations
Toubin C, Picaud S, Hoang PNM, Girardet C, Demirdjian B, Ferry D, Suzanne J |
| 6382 - 6395 |
CO oxidation on Pt(111) - Scanning tunneling microscopy experiments and Monte Carlo simulations
Volkening S, Wintterlin J |
| 6396 - 6403 |
Semiclassical treatment of charge transfer in molecule-surface scattering
Bach C, Gross A |
| 6404 - 6412 |
Stripping and bulk CO electro-oxidation at the Pt-electrode interface: Dynamic Monte Carlo simulations
Saravanan C, Markovic NM, Head-Gordon M, Ross PN |
| 6413 - 6416 |
Structural studies of clusters in melt of FeAl compound
Li H, Ding F, Wang JL, Bian XF, Wang GH |
| 6417 - 6425 |
Study of dielectric relaxation modes in poly(epsilon-caprolactone): Molecular weight, water sorption, and merging effects
Grimau M, Laredo E, Perez MCY, Bello A |
| 6426 - 6436 |
Cage effect in the viscoelasticity of a suspension of hard spheres without hydrodynamic interaction
Felderhof BU |
| 6437 - 6442 |
The polaron and bipolaron states of poly(phenylene vinylene)
Yao KL, Han SE, Zhao L |
| 6443 - 6454 |
Energy landscapes, global optimization and dynamics of the polyalanine Ac(ala)(8)NHMe
Mortenson PN, Wales DJ |
| 6455 - 6463 |
Structure formation of a single polymer chain. I. Growth of trans domains
Fujiwara S, Sato T |
| 6464 - 6471 |
Effect of branches on the structure of narrowly confined alkane fluids: n-hexadecane and 2,6,11,15-tetramethylhexadecane
Cui ST, Cummings PT, Cochran HD |
| 6472 - 6484 |
Collapse transition of isolated Lennard-Jones chain molecules: Exact results for short chains
Taylor MP |
| 6485 - 6486 |
Using the symmetric quasiminimal residuals method to accelerate an inexact spectral transform calculation of energy levels and wave functions
Huang SW, Carrington T |
| 6487 - 6489 |
Vibrational predissociation of the ND3-Ar Van der Waals complex: Comparison with NH3-Ar" (vol. 106, pg 9141, 1997)
Millan J, Halberstadt N, van der Sanden G, van der Avoird A |
| 6490 - 6490 |
Potential energy surfaces and dynamics for the reactions between C(P-3) and H-3(+) ((1)A(1)('))" (vol 108, pg 2424, 1998)
Bettens RPA, Collins MA |
