Journal of Chemical Physics

Journal of Chemical Physics, Vol.110, No.11 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (52 articles)

4983 - 4985	Stochastic Liouvillian algorithm to simulate dissipative quantum dynamics with arbitrary precision Stockburger JT, Mak CH
4986 - 4991	Geometry optimization in delocalized internal coordinates: An efficient quadratically scaling algorithm for large molecules Baker J, Kinghorn D, Pulay P
4992 - 4997	The steady state nuclear Overhauser effect revisited Karthik G
4998 - 5010	Confinement-induced enhancement or suppression of the resonant dipole-dipole interaction Cho MH
5011 - 5028	Multidimensional femtosecond correlation spectroscopies of electronic and vibrational excitons Zhang WM, Chernyak V, Mukamel S
5029 - 5036	Assessment of the Perdew-Burke-Ernzerhof exchange-correlation functional Ernzerhof M, Scuseria GE
5037 - 5046	Vibrational spectra of molecular ions isolated in solid neon. XV. Infrared spectroscopic evidence for NeHF+ and HFFH+ Lugez CL, Jacox ME, Johnson RD
5047 - 5055	Efficient collisional vibrational relaxation of triplet state molecules: Pyrazine deuteration and methylation effects Wu F, Weisman RB
5056 - 5064	Ab initio calculation of the rotation-vibration energy levels of H-3(+) and its isotopomers to spectroscopic accuracy Polyansky OL, Tennyson J
5065 - 5078	High resolution electronic spectroscopy and an empirical potential energy surface for Ne.SH/D Carter CC, Miller TA, Lee HS, McCoy AB, Hayes EF
5079 - 5088	Anion photoelectron spectroscopy of small tin clusters Moravec VD, Klopcic SA, Jarrold CC
5089 - 5099	Charge migration and control of site selective reactivity: The role of covalent and ionic states Remacle F, Levine RD
5100 - 5108	Thermal isomerization in isolated cesium-halide cluster anions Fatemi FK, Fatemi DJ, Bloomfield LA
5109 - 5123	High resolution infrared spectroscopy of single SF6 molecules in helium droplets. I. Size effects in He-4 droplets Hartmann M, Portner N, Sartakov B, Toennies JP, Vilesov AF
5124 - 5136	High resolution infrared spectroscopy of single SF6 molecules in helium droplets. II. The effect of small amounts of He-4 in large He-3 droplets Harms J, Hartmann M, Sartakov B, Toennies JP, Vilesov AF
5137 - 5139	Does N-2(-) exist? A coupled-cluster study Gutsev GL, Rozyczko PB, Bartlett RJ, Weatherford CA
5140 - 5148	Photodynamic control using field optimized initial state: A mechanistic investigation of selective control with application to IBr and HI photodissociation Vandana K, Mishra MK
5149 - 5158	On the efficient generation of Ar-n-SH free-radical clusters via ultraviolet photolysis of closed-shell Ar-n-H2S complexes Mackenzie SR, Votava O, Fair JR, Nesbitt DJ
5159 - 5173	Solvation of cyclopentadienyl and substituted cyclopentadienyl radicals in small clusters. I. Nonpolar solvents Fernandez JA, Yao J, Bernstein ER
5174 - 5182	Solvation of cyclopentadienyl and substituted cyclopentadienyl radicals in small clusters. II. Cyanocyclopentadienyl with polar solvents Yao J, Fernandez JA, Bernstein ER
5183 - 5188	Solvation of cyclopentadienyl and substituted cyclopentadienyl radicals in small clusters. III. Pre-reactive clusters Fernandez JA, Yao J, Bernstein ER
5189 - 5200	Density functional study of carbon clusters C-2n (2 <= n <= 16). I. Structure and bonding in the neutral clusters Jones RO
5201 - 5207	Spin-orbit branching ratios for the Cl atom photofragments following the excitation of Cl-2 from 310 to 470 nm Samartzis PC, Bakker BLG, Rakitzis TP, Parker DH, Kitsopoulos TN
5208 - 5217	Measurement of the dissociation energies of anionic silver clusters (Ag-n(-), n = 2-11) by collision-induced dissociation Spasov VA, Lee TH, Maberry JP, Ervin KM
5218 - 5223	Estimation of the quadrupole and hexadecapole moments of N-2 from the far-infrared spectrum of a N-2-Xe gaseous mixture Roco JMM, Hernandez AC, Velasco S, Medina A
5224 - 5230	The structures, electron affinities, and energetic stabilities of TiOn and TiOn- (n = 1-3) Walsh MB, King RA, Schaefer HF
5231 - 5237	A direct transform for the nuclear magnetic resonance chemical shift anisotropy de Swiet TM
5238 - 5248	Nonradiative relaxation processes in condensed phases: Quantum versus classical baths Egorov SA, Rabani E, Berne BJ
5249 - 5261	Identifying physical clusters in vapor phase nucleation Kusaka I, Oxtoby DW
5262 - 5272	Thermodynamic aspects of the glass transition phenomenon. II. Molecular liquids with variable interactions Alba-Simionesco C, Fan J, Angell CA
5273 - 5285	Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. I. General considerations Vikhrenko VS, Heidelbach C, Schwarzer D, Nemtsov VB, Schroeder J
5286 - 5299	Molecular dynamics simulation of vibrational relaxation of highly excited molecules in fluids. II. Nonequilibrium simulation of azulene in CO2 and Xe Heidelbach C, Vikhrenko VS, Schwarzer D, Schroeder J
5300 - 5306	Application of free rotational models of molecular reorientation to the explanation of high frequency effects in dielectric relaxation Coffey WT, Dejardin PM, Walsh ME
5307 - 5317	Linear response in theory of electron transfer reactions as an alternative to the molecular harmonic oscillator model Georgievskii Y, Hsu CP, Marcus RA
5318 - 5324	Optimal packing of polydisperse hard-sphere fluids Zhang JF, Blaak R, Trizac E, Cuesta JA, Frenkel D
5325 - 5336	Li+ dynamics in a polymer nanocomposite: An analysis of dynamic line shapes in nuclear magnetic resonance Yang DK, Zax DB
5337 - 5345	Adsorption of PF3 on Cu(001): Ordered overlayer structures and frustrated translational modes Braun J, Bishop GG, Ermakov AV, Goncharova LV, Hinch BJ
5346 - 5350	Monte Carlo study of the capacitance of the double layer in a model molten salt Boda D, Henderson D, Chan KY
5351 - 5354	Direct observation of surface diffusion of large organic molecules at metal surfaces: PVBA on Pd(110) Weckesser J, Barth JV, Kern K
5355 - 5369	Electronic properties of CdSe nanocrystals in the absence and presence of a dielectric medium Rabani E, Hetenyi B, Berne BJ, Brus LE
5370 - 5379	Monte Carlo simulations of copolymers at homopolymer interfaces: Interfacial structure as a function of the copolymer density Werner A, Schmid F, Muller M
5380 - 5391	Classical trajectory study of argon-ice collision dynamics Bolton K, Svanberg M, Pettersson JBC
5392 - 5402	Dynamics in propylene carbonate and propylene carbonate containing LiPF6 Fontanella JJ, Wintersgill MC, Immel JJ
5403 - 5411	Theory of proton relaxation induced by superparamagnetic particles Roch A, Muller RN, Gillis P
5412 - 5420	Colloidal aggregation in energy minima of restricted depth Molina-Bolivar JA, Galisteo-Gonzalez F, Hidalgo-Alvarez R
5421 - 5431	Density functional theory of nonuniform colloidal suspensions: 3D density distributions and depletion forces von Grunberg HH, Klein R
5432 - 5436	Self-consistent field theory for the nucleation of micelles Besseling NAM, Stuart MAC
5437 - 5443	Monte Carlo simulations and self-consistent integral equation theory for polyelectrolyte solutions Shew CY, Yethiraj A
5444 - 5457	Equations of state of freely jointed hard-sphere chain fluids: Theory Stell G, Lin CT, Kalyuzhnyi YV
5458 - 5468	Equations of state of freely jointed hard-sphere chain fluids: Numerical results Stell G, Lin CT, Kalyuzhnyi YV
5469 - 5472	First-passage-time-distribution approach to gated trapping problems Sheu WS
5473 - 5473	Solvent effect on conformational equilibrium: A Monte Carlo study of 1,2-dichloroethane in carbon tetrachloride (vol 104, pg 4243, 1996) Vilaseca E