Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.3 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (41 articles)

865 - 868	Thermodynamic signature of the onset of caged dynamics in glass-forming liquids Kamath S, Colby RH, Kumar SK, Baschnagel J
869 - 877	Shielding polarizabilities calculated at the coupled-cluster singles and doubles level augmented by a perturbative treatment of triple excitations Rizzo A, Gauss J
878 - 890	Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state Rosta E, Surjan PR
891 - 896	Calculating molecular electric and magnetic properties from time-dependent density functional response theory Autschbach J, Ziegler T
897 - 905	Predicting unimolecular chemical reactions: Chemical flooding Muller EM, de Meijere A, Grubmuller H
906 - 912	Near ultraviolet photodissociation of allene and propyne Qadiri RH, Feltham EJ, Cottrill EEH, Taniguchi N, Ashfold MNR
913 - 923	OD-N-2: Infrared spectroscopy, potential anisotropy, and predissociation dynamics from infared-ultraviolet double resonance studies Tsiouris M, Pollack IB, Leung HO, Marshall MD, Lester MI
924 - 927	Rotationally resolved A (2)Pi(u)<- X (2)Pi(g) electronic transition of NC6N+ Linnartz H, Pfluger D, Vaizert O, Cias P, Birza P, Khoroshev D, Maier JP
928 - 935	Ab initio studies of the reactions of Cu(S-2, D-2, and P-2) with SiH4 and GeH4 Luna-Garcia H, Ramirez-Solis A, Castillo S
936 - 945	Guided ion beam studies of the reactions of V-n(+) (n=2-13) with D-2: Cluster-deuteride bond energies as a chemical probe of cluster electronic structure Liyanage R, Conceicao J, Armentrout PB
946 - 954	Simultaneous phase control of Li-2 wave packets in two electronic states Stauffer HU, Ballard JB, Amitay Z, Leone SR
955 - 963	Spectroscopy and dynamics of calcium dimers deposited on large argon and neon van der Waals clusters Gaveau MA, Briant M, Fournier PR, Mestdagh JM, Visticot JP
964 - 973	Theoretical determination of magnetic properties of planar benzene isomers Ligabue A, Lazzeretti P
974 - 983	High resolution analysis of the complex symmetric CF3 stretching chromophore absorption in CF3I He YB, Hollenstein H, Quack M, Richard E, Snels M, Burger H
984 - 992	Ionization energy studies for ozone and OClO monomers and dimers Probst M, Hermansson K, Urban J, Mach P, Muigg D, Denifl G, Fiegele T, Mason NJ, Stamatovic A, Mark TD
993 - 1002	Optical spectroscopy of tungsten carbide (WC) Sickafoose SM, Smith AW, Morse MD
1003 - 1011	Rotationally resolved spectra of transitions involving methyl torsion and C-C-O bend of acetaldehyde in the system of A(1)A''-X(1)A' Chou YC, Huang CL, Chen IC, Ni CK, Kung AH
1012 - 1021	Rovibrational calculations for CH3+-Rg (Rg=He,Ne): The prototype disk-and-ball dimer Dopfer O, Luckhaus D
1022 - 1029	Rabi oscillations in the dissociative continuum: Rotation and alignment effects Granucci G, Magnier S, Persico M
1030 - 1034	Cavity ringdown spectroscopy measurements of the infrared water vapor continuum Cormier JG, Ciurylo R, Drummond JR
1035 - 1062	An optimal adiabatic-to-diabatic transformation of the 1 (2)A' and 2 (2)A' states of H-3 Abrol R, Kuppermann A
1063 - 1071	A heuristic quantum dissipation algorithm applied to new neutron scattering data of the free ammonia rotations in the Ni-Ni-biphenyl Hofmann clathrate Rogalsky O, Vorderwisch P, Huller A, Hautecler S
1072 - 1076	Phase separation of a binary liquid mixture in porous media studied by nuclear magnetic resonance cryoporometry Valiullin R, Furo I
1077 - 1084	Molecular dynamics simulation study of the high frequency sound waves in the fragile glass former orthoterphenyl Mossa S, Monaco G, Ruocco G, Sampoli M, Sette F
1085 - 1091	Ultrafast cis-trans photoswitching: A model study Hahn S, Stock G
1092 - 1096	Anisotropic diffusion of spheroids in liquids: Slow orientational relaxation of the oblates Vasanthi R, Bhattacharyya S, Bagchi B
1097 - 1108	New criteria for cluster identification in continuum systems Pugnaloni LA, Vericat F
1109 - 1119	Absence of recombination of neighboring H atoms in highly purified solid parahydrogen: Electron spin resonance, electron-nuclear double resonance, and electron spin echo studies Kumada T, Sakakibara M, Nagasaka T, Fukuta H, Kumagai J, Miyazaki T
1120 - 1127	Characterization of the electronic structure of crystalline compounds through their localized Wannier functions Zicovich-Wilson CM, Bert A, Roetti C, Dovesi R, Saunders VR
1128 - 1136	Effect of coverage and temperature on the kinetics of nitrogen desorption from Rh(111) surfaces Zaera F, Gopinath CS
1137 - 1146	Morphologies of ABC triblock copolymer thin films Chen HY, Fredrickson GH
1147 - 1155	Global phase diagrams for freezing in porous media Radhakrishnan R, Gubbins KE, Sliwinska-Bartkowiak M
1156 - 1164	Surface enhanced Raman scattering from a single molecule adsorbed on a metal particle aggregate: A theoretical study Corni S, Tomasi J
1165 - 1170	Structure and bonding of propyne on Cu(111) from density functional periodic and cluster models Valcarcel A, Ricart JM, Clotet A, Markovits A, Minot C, Illas F
1171 - 1184	Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations Lisal M, Hall CK, Gubbins KE, Panagiotopoulos AZ
1185 - 1192	Strong isotopic labeling effects on the pressure dependent thermodynamics of polydimethylsiloxane/polyethylmethylsiloxane blends Beiner M, Fytas G, Meier G, Kumar S
1193 - 1200	Residual water modulates the dynamics of the protein and of the external matrix in "trehalose coated" MbCO: An infrared and flash-photolysis study Librizzi F, Viappiani C, Abbruzzetti S, Cordone L
1201 - 1203	Linking the photoelectron and infrared spectroscopies of the (H2O)(6)(-) isomers Kelley JA, Weddle GH, Robertson WH, Johnson MA
1204 - 1205	Comment on "Diffusion measurements with the pulsed gradient nonlinear spin echo method" [J. Chem. Phys. 112, 5275 (2000)] Jeener J
1206 - 1206	Response to "Comment on'Diffusion measurements with the pulsed gradient nonlinear spin echo method' " [J. Chem. Phys. 116, 1204 (2002)] Ardelean I, Kimmich R
1207 - 1207	Density depletion profile and solvation free energy of a colloidal particle in a polymer solution (vol 115, pg 5292, 2001) Maassen R, Eisenriegler E, Bringer A