Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (44 articles)

1057 - 1059	A quantum-mechanical study of the dynamics of the O(D-1)+H-2 -> OH+H insertion reaction Honvault P, Launay JM
1060 - 1064	Semiclassical application of the Moller operators in reactive scattering Garashchuk S, Light JC
1065 - 1074	Classical mapping approaches for nonadiabatic dynamics: Short time analysis Golosov AA, Reichman DR
1075 - 1088	Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach Krilov G, Sim E, Berne BJ
1089 - 1100	A quantum electrodynamical theory of three-center energy transfer for upconversion and downconversion in rare earth doped materials Andrews DL, Jenkins RD
1101 - 1114	A diagrammatic theory of time correlation functions of facilitated kinetic Ising models Pitts SJ, Andersen HC
1115 - 1124	Computational method of many-electron integrals over explicitly correlated Cartesian Gaussian functions Saito SL, Suzuki Y
1125 - 1132	Compact parameter set for fast estimation of proton transfer rates Lill MA, Helms V
1133 - 1141	Second-order quasi-degenerate perturbation theory with quasi-complete active space self-consistent field reference functions Nakano H, Nakatani J, Hirao K
1142 - 1147	Statistics of the bleaching number and the bleaching time in single-molecule fluorescence spectroscopy Molski A
1148 - 1164	Magnetic exchange interaction in a pair of orbitally degenerate ions: Magnetic anisotropy of [Ti2Cl9](-3) Borras-Almenar JJ, Clemente-Juan JM, Coronado E, Palii AV, Tsukerblat BS
1165 - 1169	Reactivity and electronic structure of aluminum clusters: The aluminum-nitrogen system Leskiw BD, Castleman AW, Ashman C, Khanna SN
1170 - 1177	Absolute total and partial cross sections for the electron impact ionization of tetrafluorosilane (SiF4) Basner R, Schmidt M, Denisov E, Becker K, Deutsch H
1178 - 1186	Optical pumping studies of vibrational energy transfer in high-pressure diatomic gases Lee W, Adamovich IV, Lempert WR
1187 - 1193	Spectra of jet-cooled (SO2)-S-32 and (SO2)-S-34 in systems (a)over-tilde(3)B(1) and (b)over-tilde(3)A(2)-(X)over-tilde(1)A(1): Rotational structure of perturbed (b)over-tilde(3)A(2) Huang CL, Chen IC, Merer AJ, Ni CK, Kung AH
1194 - 1205	Electronic continua in time-resolved photoelectron spectroscopy. I. Complementary ionization correlations Blanchet V, Zgierski MZ, Stolow A
1206 - 1213	Electronic continua in time-resolved photoelectron spectroscopy. II. Corresponding ionization correlations Schmitt M, Lochbrunner S, Shaffer JP, Larsen JJ, Zgierski MZ, Stolow A
1214 - 1232	Mechanism of the reaction, CH4+O(D-1(2))-> CH3+OH, studied by ultrafast and state-resolved photolysis/probe spectroscopy of the CH4 center dot O-3 van der Waals complex Miller CC, van Zee RD, Stephenson JC
1233 - 1241	Efficient calculation of molecular constants and transition intensities in weakly bound species from J=0 eigenstates: Benzene-Ar as test case Felker PM, Neuhauser D, Kim W
1242 - 1248	Rotational spectra and structures of the Ar-3-H2O and Ar-3-H2S symmetric tops Arunan E, Emilsson T, Gutowsky HS, Dykstra CE
1249 - 1258	Quantum-mechanical study of vibrational relaxation of HF in collisions with Ar atoms Krems RV, Markovic N, Buchachenko AA, Nordholm S
1259 - 1271	Quantum dynamics simulation of the ultrafast photoionization of Li-2 Pesce L, Amitay Z, Uberna R, Leone SR, Ratner M, Kosloff R
1272 - 1277	Electronic structure and polarizabilities of icosahedral fullerenes: A Pariser-Parr-Pople approach Ruiz A, Breton J, Llorente JMG
1278 - 1285	A theoretical study of Si4H2 cluster with ab initio and density functional theory methods Wang WN, Tang HR, Fan KN, Iwata S
1286 - 1294	Investigations of pure rotational transitions of H-2 perturbed by He. II. High-temperature calculations and extrapolations Dubernet ML, Tuckey PA, Jolicard G, Michaut X, Berger H
1295 - 1305	sigma to pi conformational transition: Interactions of the water trimer with pi systems Tarakeshwar P, Kim KS, Brutschy B
1306 - 1311	The permanent electric dipole moment of yttrium dicarbide, YC2 Bousquet RR, Steimle TC
1312 - 1318	Contribution of the ultrafast, short-distance intermolecular electron transfer to the fluorescence quenching rate in solution Iwai S, Murata S, Tachiya M
1319 - 1325	Heterogeneous nucleation on aerosol particles Padilla K, Talanquer V
1326 - 1335	Determining the solvation correlation function from three-pulse photon echoes in liquids Everitt KF, Geva E, Skinner JL
1336 - 1343	Proton transfer reaction of 4-methyl-2,6-diacetylphenol and an analysis with AM1 potential-energy surfaces Mandal A, Guha D, Das R, Mitra S, Mukherjee S
1344 - 1349	Surface relief gratings generated by pulsed holography: A simple way to polymer nanostructures without isomerizing side-chains Baldus O, Leopold A, Hagen R, Bieringer T, Zilker SJ
1350 - 1354	Triple-point wetting of Ne on solid CO2 Bruschi L, Paniz E, Mistura G, Galilei G
1355 - 1360	Critical phenomena of water bridges in nanoasperity contacts He MY, Blum AS, Aston DE, Buenviaje C, Overney RM, Luginbuhl R
1361 - 1365	Electrical conductivity of water compressed dynamically to pressures of 70-180 GPa (0.7-1.8 Mbar) Chau R, Mitchell AC, Minich RW, Nellis WJ
1366 - 1381	Adsorption of colloidal particles by Brownian dynamics simulation: Kinetics and surface structures Gray JJ, Bonnecaze RT
1382 - 1392	Rotational and diffractive inelastic scattering of a diatom on a corrugated surface: A multiconfiguration time-dependent Hartree study on N-2/LiF(001) Heitz MC, Meyer HD
1393 - 1404	Photon avalanche in Cs2ZrCl6: Os4+ Wermuth M, Gudel HU
1405 - 1413	Monte Carlo simulations of Wyoming sodium montmorillonite hydrates Chavez-Paez M, Van Workum K, de Pablo L, de Pablo JJ
1414 - 1419	The adsorption conformation of chemisorbed pyridine on the Cu(110) surface Lee JG, Ahner J, Yates JT
1420 - 1423	Amino acid classes and the protein folding problem Cieplak M, Holter NS, Maritan A, Banavar JR
1424 - 1431	Monte Carlo test of the lattice cluster theory: Thermodynamic properties of binary polymer blends Buta D, Freed KF, Szleifer I
1432 - 1439	Chain self-assembly and phase transitions in semiflexible polymer systems Kindt JT, Gelbart WM
1440 - 1440	Mechanism of fast proton transfer in ice: Potential energy surface and reaction coordinate analyses (vol 113, pg 9090, 2000) Kobayashi C, Saito S, Ohmine I