Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (62 articles)

1211 - 1214	The size of interstellar nanodiamonds revealed by infrared spectra of CH on synthetic diamond nanocrystal surfaces Chen CF, Wu CC, Cheng CL, Sheu SY, Chang HC
1215 - 1227	A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO Poirier B, Carrington T
1228 - 1238	Electronic transitions with quantum trajectories. II Lopreore CL, Wyatt RE
1239 - 1249	Variational method for solving the contracted Schrodinger equation through a projection of the N-particle power method onto the two-particle space Mazziotti DA
1250 - 1258	Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules Pollet R, Savin A, Leininger T, Stoll H
1259 - 1268	Linear response coupled cluster calculation of Raman scattering cross sections Pecul M, Rizzo A
1269 - 1276	Finite-basis-set optimized effective potential exchange-only method Ivanov S, Hirata S, Barlett RJ
1277 - 1285	Solvable model of kinetic control Fraser SJ
1286 - 1295	Alignment in angular distribution of photofragments in multiphoton above threshold dissociation of HD+ by linearly and circularly polarized intense laser fields Sen S, Ghosh S, Bhattacharyya SS, Saha S
1296 - 1302	High-level theoretical study of the conformational equilibrium of n-pentane Salam A, Deleuze MS
1303 - 1312	Ab initio potential energy surfaces of the propane dimer Jalkanen JP, Mahlanen R, Pakkanen TA, Rowley RL
1313 - 1317	Rotationally resolved spectroscopy of Pt-2 Airola MB, Morse MD
1318 - 1324	Stripping dynamics in the reactions of electronically excited carbon atoms, C(D-1), with ethylene and propylene-production of propargyl and methylpropargyl radicals Kaiser RI, Nguyen TL, Mebel AM, Lee YT
1325 - 1329	Focusing and selecting the linear type HBr-N2O by using a 2 m long electrostatic hexapole field Okano A, Ohoyama H, Kasai T
1330 - 1338	Electronic structure and chemical boning in nonstoichiometric molecules: Al3X2- (X = C,Si,Ge). A photoelectron spectroscopy and ab initio study Li X, Wang LS, Cannon NA, Boldyrev AI
1339 - 1342	Structure and growth modes of (BaO)(n) (n <= 9) clusters Chen G, Liu ZF, Gong XG
1343 - 1349	Caging of Ni clusters by benzene molecules and its effect on the magnetism of Ni clusters Rao BK, Jena P
1350 - 1360	Optimization of wave packet coefficients in Li-2 using an evolutionary algorithm: The role of resonant and nonresonant wavelengths Ballard JB, Stauffer HU, Amitay Z, Leone SR
1361 - 1369	Collision-induced electronic energy transfer from v=0 of the E(0(g)(+)) ion-pair state in I-2: Collisions with He and Ar Fecko CJ, Freedman MA, Stephenson TA
1370 - 1379	Optical dephasing effects in broadband four-wave mixing in C-2: Implications for broadband FWM thermometry Lloyd GM, Ewart P
1380 - 1387	Low-energy electron collisions with tetrafluoroethene, C2F4 Winstead C, McKoy V
1388 - 1396	Vibrationally-rotationally inelastic cross sections for H+SiO collisions Palov AP, Jimeno P, Gray MD, Field D, Balint-Kurti GG
1397 - 1405	Intermolecular potential and second virial coefficient of the water-helium complex Hodges MP, Wheatley RJ, Harvey AH
1406 - 1416	Intramolecular energy flow and nonadiabaticity in vibrationally mediated chemistry: Wave packet studies of Cl+H2O Fair JR, Schaefer D, Kosloff R, Nesbitt DJ
1417 - 1423	The ground state of germylidene (H2C = Ge) Hostutler DA, Clouthier DJ, Pauls SW
1424 - 1434	Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects Olsen L, Christiansen O, Hemmingsen L, Sauer SPA, Mikkelsen KV
1435 - 1442	A K-dependent adiabatic approximation to the Renner-Teller effect for triatomic molecules Yu HG, Muckerman JT, Sears TJ
1443 - 1456	Ultrafast photodissociation dynamics and energetics of the electronically excited H atom transfer state of the ammonia dimer and trimer Farmanara R, Ritze HH, Stert V, Radloff W, Hertel IV
1457 - 1467	Dynamics of O(P-3(j))+Rg collisions on ab initio and scattering potentials Krems RV, Buchachenko AA, Szczesniak MM, Klos J, Chalasinski G
1468 - 1478	Parametrized direct dynamics study of rate constants of H with CH4 from 250 to 2400 K Pu JZ, Truhlar DG
1479 - 1492	Development of transferable interaction models for water. I. Prominent features of the water dimer potential energy surface Burnham CJ, Xantheas SS
1493 - 1499	Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles Xantheas SS, Burnham CJ, Harrison RJ
1500 - 1510	Development of transferable interaction models for water. III. Reparametrization of an all-atom polarizable rigid model (TTM2-R) from first principles Burnham CJ, Xantheas SS
1511 - 1518	Sub-femtosecond dynamics and dissociation of C-H bonds in solid polystyrene and liquid benzene Chatzidimitriou-Dreismann CA, Abdul-Redah T, Streffer RMF, Mayers J
1519 - 1529	Phase-separation dynamics of a ternary mixture coupled with reversible chemical reaction Tong CH, Yang YL
1530 - 1535	On the applicability of the Redfield high-temperature theory for proton dipolar order relaxation in liquid crystals Mensio O, Gonzalez CE, Zamar RC
1536 - 1550	Theoretical study of Cu-Au nanoalloy clusters using a genetic algorithm Darby S, Mortimer-Jones TV, Johnston RL, Roberts C
1551 - 1561	Quadrupolar-shielding cross-correlations in solid state nuclear magnetic resonance: Detecting antisymmetric components in chemical shift tensors Wi S, Frydman L
1562 - 1570	Time-resolved vibrational optical activity measurement by the infrared-visible sum-frequency-generation with circularly polarized infrared light Cho MH
1571 - 1584	Higher-order hydrodynamics: Extended Fick's Law, evolution equation, and Bobylev's instability Jou D, Casas-Vazquez J, Madureira JR, Vasconcellos AR, Luzzi R
1585 - 1597	Theoretical studies of ligand-free cadmium selenide and related semiconductor clusters Deglmann P, Ahlrichs R, Tsereteli K
1598 - 1606	Orientational dynamics of the glass forming liquid, dibutylphthalate: Time domain experiments and comparison to mode coupling theory Brace DD, Gottke SD, Cang H, Fayer MD
1607 - 1612	N-2 and CO2 vibrational modes in solid nitrogen under pressure McCluskey MD, Zhuravlev KK
1613 - 1620	A theoretical study of liquid alcohols using averaged solvent electrostatic potentials obtained from molecular dynamics simulations: Methanol, ethanol and propanol Martin ME, Sanchez ML, del Valle FJO, Aguilar MA
1621 - 1628	On quantum effects near the liquid-vapor transition in helium Muser MH, Luijten E
1629 - 1635	Optimization of laser-driven intramolecular hydrogen transfer in the presence of dephasing Geva E
1636 - 1646	Concentrated aqueous urea solutions: A molecular dynamics study of different models Sokolic F, Idrissi A, Perera A
1647 - 1657	Time-dependent optical linewidth in fluctuating environments: Stochastic models Diezemann G
1658 - 1670	Photoinduced electron transfer from aliphatic amines to coumarin dyes Nad S, Pal H
1671 - 1683	Analysis of a dinitro-based molecular device Seminario JM, Zacarias AG, Derosa PA
1684 - 1691	Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001) Gomes JRB, Illas F, Hernandez NC, Sanz JF, Wander A, Harrison NM
1692 - 1699	Proton transport via coupled surface and bulk diffusion Georgievskii Y, Medvedev ES, Stuchebrukhov AA
1700 - 1706	Electronic structure of poly(9,9-dioctylfluorene) in the pristine and reduced state Greczynski G, Fahlman M, Salaneck WR, Johansson N, dos Santos DA, Dkhissi A, Bredas JL
1707 - 1712	Wavelength selective excitation of surface oxygen anions on highly dispersed MgO Diwald O, Sterrer M, Knozinger E, Sushko PV, Shluger AL
1713 - 1719	Weak intrinsic charge transfer complexes: A new route for developing wide spectrum organic photovoltaic cells Ruani G, Fontanini C, Murgia M, Taliani C
1720 - 1724	Hindered rotation of H-2 adsorbed interstitially in nanotube bundles Kostov MK, Cheng H, Herman RM, Cole MW, Lewis JC
1725 - 1730	Dissociative electron attachment to C2N2 molecules at surface and in gas phase Deng ZW, Souda R
1731 - 1736	Monte Carlo simulations of star-branched polymers confined between two walls Romiszowski P, Sikorski A
1737 - 1743	A photon echo study of two-level systems in polyisobutylene under high pressure Yamaguchi M, McIntire MJ, Chronister EL
1744 - 1747	Use of crystal polymorphs for resolving an equilibrium liquid's state on supercooling to 0 K Johari GP
1748 - 1748	The F-19-H-1 coupling constants transmitted through covalent, hydrogen bond, and van der Waals interactions (vol 115, pg 5498, 2001) Pecul M, Sadlej J, Leszczynski J
1748 - 1748	A note on quantum thermodynamic rate theories (vol 115, pg 6876, 2001) Pollak E, Shao JS