Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.14 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (54 articles)

5921 - 5924	Photoelectron imaging spectroscopy of molecular and cluster anions: CS2- and OCS-(H2O)(1,2) Surber E, Sanov A
5925 - 5932	A study of the semiclassical initial value representation at short times Ankerhold J, Saltzer M, Pollak E
5933 - 5940	Physically motivated density functionals with improved performances: The modified Perdew-Burke-Ernzerhof model Adamo C, Barone V
5941 - 5950	Intermittency, current flows, and short time diffusion in interacting finite sized one-dimensional fluids Pal S, Srinivas G, Bhattacharyya S, Bagchi B
5951 - 5955	An improved thermodynamic energy estimator for path integral simulations Glaesemann KR, Fried LE
5956 - 5962	Quadratic diffusion Monte Carlo and pure estimators for atoms Sarsa A, Boronat J, Casulleras J
5963 - 5970	Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections Hald K, Jorgensen P, Christiansen O, Koch H
5971 - 5983	Efficient multiple-time-step integrators with distance-based force splitting for particle-mesh-Ewald molecular dynamics simulations Qian XL, Schlick T
5984 - 5991	Modified genetic algorithm to model crystal structures. I. Benzene, naphthalene and anthracene Bazterra VE, Ferraro MB, Facelli JC
5992 - 5995	Modified genetic algorithm to model crystal structures. II. Determination of a polymorphic structure of benzene using enthalpy minimization Bazterra VE, Ferraro MB, Facelli JC
5996 - 6001	Laser induced fluorescence spectra of the D (1)Sigma(+)(u)-> B' (1)Sigma(+)(g) and C (1)Pi(g)-> A (1)Pi(u) systems of C-2 in solid Ne Wakabayashi T, Ong AL, Kratschmer W
6002 - 6011	The CH+H reaction studied with quantum-mechanical and classical trajectory calculations van Harrevelt R, van Hemert MC, Schatz GC
6012 - 6020	The permanent electric dipole moments for the A (2)Pi and B (2)Sigma(+) states and the hyperfine interactions in the A (2)Pi state of lanthanum monoxide, LaO Steimle TC, Virgo W
6021 - 6027	Electron attachment to SF5CF3 (296-563 K) and calculations of the neutral and anion thermochemistry Miller TM, Arnold ST, Viggiano AA, Knighton WB
6028 - 6038	Solvation of formic acid and proton transfer in hydrated clusters Wei DQ, Truchon JF, Sirois S, Salahub D
6039 - 6044	Short- and long-lived electronic states of BF- Dreuw A, Sommerfeld T, Cederbaum LS
6045 - 6055	High-resolution Fourier transform infrared and cw-diode laser cavity ringdown spectroscopy of the nu(2)+2 nu(3) band of methane near 7510 cm(-1) in slit jet expansions and at room temperature Hippler M, Quack M
6056 - 6063	Dihydrogen bonded phenol-borane-dimethylamine complex: An experimental and theoretical study Patwari GN, Ebata T, Mikami N
6064 - 6071	Quasiclassical and quantum mechanical modeling of the breakdown of the axial recoil approximation observed in the near threshold photolysis of IBr and Br-2 Wrede E, Wouters ER, Beckert M, Dixon RN, Ashfold MNR
6072 - 6078	Microwave and millimeter-wave spectrum of the He center dot center dot center dot H-2+ long-range complex Gammie DI, Page JC, Shaw AM
6079 - 6087	Laser-induced fluorescence studies of excited Sr reactions. III. Sr(P-3(1))+CHF = CH2, CF2 = CH2, CHF = CHF, and C6H5F Teule JM, Janssen MHM, Stolte S, Bulthuis J
6088 - 6101	Theory of fluorescence decay of naphthalene: Was photoinduced cooling observed experimentally? He Y, Pollak E
6102 - 6110	A quantum mechanics-molecular mechanics study of dissociative electron transfer: The methylchloride radical anion in aqueous solution Soriano A, Silla E, Tunon I
6111 - 6117	Anion photoelectron spectroscopy of I-2(-)(CO2)(n)(n=1-8) clusters Gomez H, Taylor TR, Neumark DM
6118 - 6125	An excess electron bound to urea. III. The urea dimer as an electron trap Skurski P, Simons J
6126 - 6131	Photodetachment spectroscopy of the C2nH- (n=2-4) anions in the vicinity of their electron detachment threshold Pino T, Tulej M, Guthe F, Pachkov M, Maier JP
6132 - 6145	Probing potential surfaces for hydrogen bonding: Near-infrared combination band spectroscopy of van der Waals stretch (nu(4)) and geared bend (nu(5)) vibrations in (HCl)(2) Farnik M, Davis S, Schuder MD, Nesbitt DJ
6146 - 6158	Beyond the Born-Oppenheimer approximation: High-resolution overtone spectroscopy of H2D+ and D2H+ Farnik M, Davis S, Kostin MA, Polyansky OL, Tennyson J, Nesbitt DJ
6159 - 6169	Propagating density fluctuations in liquid mixtures: From hydrodynamic to molecular length scales Anento N, Padro JA
6170 - 6177	Complementary approaches to the ab initio calculation of melting properties Alfe D, Gillan MJ, Price GD
6178 - 6195	Electric field effect on positronium formation in liquids Stepanov SV, Byakov VM
6196 - 6204	Gradient vector field and properties of the experimental electrostatic potential: Application to ibuprofen drug molecule Bouhmaida N, Dutheil M, Ghermani NE, Becker P
6205 - 6215	Molecular dynamics of glass-forming liquids: Structure and dynamics of liquid metatoluidine Chelli R, Cardini G, Procacci P, Righini R, Califano S
6216 - 6220	Effect of binding on particle number fluctuations in a membrane channel Berezhkovskii AM, Pustovoit MA, Bezrukov SM
6221 - 6227	Effect of ambient-pressure reduction on multibubble sonochemiluminescence Tuziuti T, Hatanaka S, Yasui K, Kozuka T, Mitome H
6228 - 6242	Nonequilibrium dynamics and fluctuation-dissipation relation in a sheared fluid Berthier L, Barrat JL
6243 - 6252	Two-color three pulse photon echo peak shift spectroscopy Agarwal R, Prall BS, Rizvi AH, Yang M, Fleming GR
6253 - 6270	Density functional theory of spin-coupled models for diiron-oxo proteins: Effects of oxo and hydroxo bridging on geometry, electronic structure, and magnetism Rodriguez JH, McCusker JK
6271 - 6278	A self-consistent mode-coupling theory for dynamical correlations in quantum liquids: Rigorous formulation Rabani E, Reichman DR
6279 - 6285	A self-consistent mode-coupling theory for dynamical correlations in quantum liquids: Application to liquid para-hydrogen Reichman DR, Rabani E
6286 - 6290	Selective growth of flowerlike carbon structures by Radio Frequency plasma-assisted pulsed-laser deposition Yap YK, Yoshimura M, Mori Y, Sasaki T
6291 - 6296	Dissociative chemisorption of methylsilane on the Si(100) surface Silvestrelli PL, Sbraccia C, Ancilotto F
6297 - 6304	Linear electro-optic tensor ratio determination and quadratic electro-optic modulation of electrostatically self-assembled CdSe quantum dot films Zhang LM, Zhang FJ, Wang YQ, Claus RO
6305 - 6310	Phase separation of a binary fluid in the presence of immobile particles: A lattice Boltzmann approach Suppa D, Kuksenok O, Balazs AC, Yeomans JM
6311 - 6321	Interfaces between silicalite surfaces and liquid hexadecane: A molecular dynamics simulation Webb EB, Grest GS
6322 - 6328	Soft x-ray imaging and spectroscopy of single nanocrystals Rockenberger J, Nolting F, Luning J, Hu J, Alivisatos AP
6329 - 6338	Effective binding force calculation in a dimeric protein by molecular dynamics simulation Sergi A, Ciccotti G, Falconi M, Desideri A, Ferrario M
6339 - 6347	Comparison of the ultrafast to slow time scale dynamics of three liquid crystals in the isotropic phase Gottke SD, Cang H, Bagchi B, Fayer MD
6348 - 6353	Two shear flow regimes in nematic liquid crystals: Near a charged surface and in the bulk Zakharov AV, Dong RY
6354 - 6367	Entropy driven demixing in fluids of rigidly ordered particles DuBois S, Perera A
6368 - 6375	Schrodinger equation for current carrying states Kosov DS
6376 - 6378	The importance of the diabatic channels in the chemi-ionization reaction O(P-3)+CH(a (4)Sigma(-))-> HCO+(X (1)Sigma(+))+e(-) Metropoulos A
6379 - 6380	Comment on "Self-diffusion near the liquid-vapor critical point" [J. Chem. Phys. 114, 4912 (2001)] Harris KR
6381 - 6382	Response to "Comment on'Self-diffusion near the liquid-vapor critical point' " [J. Chem. Phys. 116, 6379 (2002)] Drozdov AN, Tucker SC