The Journal of Chemical Physics, 2002, V 116, N 3, January 15.

TE Thermodynamic signature of the onset of caged dynamics in
glass-forming liquids
AU Sudesh Kamath, Ralph H.Colby, Sanat K.Kumar, and Joerg Baschnagel
PP 865-868


TE Shielding polarizabilities calculated at the coupled-cluster singles and doubles level augmented by a perturbative treatment of triple excitations AU Antonio Rizzo and Juergen Gauss PP 869-877 TE Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state AU Edina Rosta and Peter R.Surjan PP 878-890 TE Calculating molecular electric and magnetic properties from time-dependent density functional response theory AU Jochen Autschbach and Tom Ziegler PP 891-896 TE Predicting unimolecular chemical reactions: Chemical flooding AU E.Matthias Mueller, Armin de Meijere, and Helmut Grubmueller PP 897-905 TE Near ultraviolet photodissociation of allene and propyne AU Rafay H.Qadiri, Emma J.Feltham, Emily E.H.Cottrill, Nori Taniguchi, and Michael N.R.Ashfold PP 906-912 TE OD-N_{2}: Infrared spectroscopy, potential anisotropy, and predissociation dynamics from infared-ultraviolet double resonance studies AU Maria Tsiouris, Ilana B.Pollack, Helen O.Leung, Mark D.Marshall, and Marsha I.Lester PP 913-923 TE Rotationally resolved A^{2}Pi_{u}<--X ^{2}Pi_{g} electronic transition of NC_{6}N^{+} AU H.Linnartz, D.Pfluger, O.Vaizert, P.Cias, P.Birza, D.Khoroshev, and J.P.Maier PP 924-927 TE Ab initio studies of the reactions of Cu(^{2}S, ^{2}D, and ^{2}P) with SiH_{4} and GeH_{4} AU H.Luna-Garcia, A.Ramirez-Solis, and S.Castillo PP 928-935 TE 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 AU Rohana Liyanage, J.Conceica~o, and P.B.Armentrout PP 936-945 TE Simultaneous phase control of Li_{2} wave packets in two electronic states AU Hans U.Stauffer, Joshua B.Ballard, Zohar Amitay, and Stephen R.Leone PP 946-954 TE Spectroscopy and dynamics of calcium dimers deposited on large argon and neon van der Waals clusters AU M.A.Gaveau, M.Briant, P.R.Fournier, J.M.Mestdagh, and J.P.Visticot PP 955-963 TE Theoretical determination of magnetic properties of planar benzene isomers AU Andrea Ligabue and Paolo Lazzeretti PP 964-973 TE High resolution analysis of the complex symmetric CF_{3} stretching chromophore absorption in CF_{3}I AU Yabai He, Hans Hollenstein, Martin Quack, Erik Richard, Marcel Snels, and Hans Buerger PP 974-983 TE Ionization energy studies for ozone and OClO monomers and dimers AU M.Probst, K.Hermansson, J.Urban, P.Mach, D.Muigg, G.Denifl, T.Fiegele, N.J.Mason, A.Stamatovic, and T.D.Maerk PP 984-992 TE Optical spectroscopy of tungsten carbide (WC) AU Shane M.Sickafoose, Adam W.Smith, and Michael D.Morse PP 993-1002 TE 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' AU Yung-Ching Chou, Cheng-Liang Huang, I-Chia Chen, Chi-Kung Ni, and A.H.Kung PP 1003-1011 TE Rovibrational calculations for CH_{3}^{+}-Rg (Rg=He,Ne): The prototype disk-and-ball dimer AU Otto Dopfer and David Luckhaus PP 1012-1021 TE Rabi oscillations in the dissociative continuum: Rotation and alignment effects AU Giovanni Granucci, Sylvie Magnier, and Maurizio Persico PP 1022-1029 TE Cavity ringdown spectroscopy measurements of the infrared water vapor continuum AU John G.Cormier, Roman Ciurylo, and James R.Drummond PP 1030-1034 TE An optimal adiabatic-to-diabatic transformation of the 1 ^{2}A' and 2 ^{2}A' states of H_{3} AU Ravinder Abrol and Aron Kuppermann PP 1035-1062 TE A heuristic quantum dissipation algorithm applied to new neutron scattering data of the free ammonia rotations in the Ni-Ni-biphenyl Hofmann clathrate AU Olaf Rogalsky, Peter Vorderwisch, Alfred Hueller, and Serge Hautecler PP 1063-1071 TE Phase separation of a binary liquid mixture in porous media studied by nuclear magnetic resonance cryoporometry AU Rustem Valiullin and Istvan Furo PP 1072-1076 TE Molecular dynamics simulation study of the high frequency sound waves in the fragile glass former orthoterphenyl AU S.Mossa, G.Monaco, G.Ruocco, M.Sampoli, and F.Sette PP 1077-1084 TE Ultrafast cis-trans photoswitching: A model study AU Susanne Hahn and Gerhard Stock PP 1085-1091 TE Anisotropic diffusion of spheroids in liquids: Slow orientational relaxation of the oblates AU R.Vasanthi, Sarika Bhattacharyya, and Biman Bagchi PP 1092-1096 TE New criteria for cluster identification in continuum systems AU Luis A.Pugnaloni and Fernando Vericat PP 1097-1108 TE Absence of recombination of neighboring H atoms in highly purified solid parahydrogen: Electron spin resonance, electron-nuclear double resonance, and electron spin echo studies AU Takayuki Kumada, Masahiro Sakakibara, Toshimitsu Nagasaka, Hiroya Fukuta, Jun Kumagai, and Tetsuo Miyazaki PP 1109-1119 TE Characterization of the electronic structure of crystalline compounds through their localized Wannier functions AU Claudio M.Zicovich-Wilson, Alberto Bert, Carla Roetti, Roberto Dovesi, and Victor R.Saunders PP 1120-1127 TE Effect of coverage and temperature on the kinetics of nitrogen desorption from Rh(111) surfaces AU Francisco Zaera and Chinnakonda S.Gopinath PP 1128-1136 TE Morphologies of ABC triblock copolymer thin films AU Hsuan-Yi Chen and G.H.Fredrickson PP 1137-1146 TE Global phase diagrams for freezing in porous media AU Ravi Radhakrishnan, Keith E.Gubbins, and Malgorzata Sliwinska-Bartkowiak PP 1147-1155 TE Surface enhanced Raman scattering from a single molecule adsorbed on a metal particle aggregate: A theoretical study AU S.Corni and J.Tomasi PP 1156-1164 TE Structure and bonding of propyne on Cu(111) from density functional periodic and cluster models AU A.Valcarcel, J.M.Ricart, A.Clotet, A.Markovits, C.Minot, and F.Illas PP 1165-1170 TE Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations AU Martin Lisal, Carol K.Hall, Keith E.Gubbins, and Athanassios Z.Panagiotopoulos PP 1171-1184 TE Strong isotopic labeling effects on the pressure dependent thermodynamics of polydimethylsiloxane/polyethylmethylsiloxane blends AU Mario Beiner, George Fytas, Gerhard Meier, and Sanat Kumar PP 1185-1192 TE Residual water modulates the dynamics of the protein and of the external matrix in "trehalose coated" MbCO: An infrared and flash-photolysis study AU Fabio Librizzi, Cristiano Viappiani, Stefania Abbruzzetti, and Lorenzo Cordone PP 1193-1200

TE Linking the photoelectron and infrared spectroscopies of the (H_{2}O)_{6}^{-} isomers AU Jude A.Kelley, Gary H.Weddle, William H.Robertson, and Mark A.Johnson PP 1201-1203 TE Comment on "Diffusion measurements with the pulsed gradient nonlinear spin echo method" [J. Chem. Phys., v.112, 5275 (2000)] AU J.Jeener PP 1204-1205 TE Response to "Comment on `Diffusion measurements with the pulsed gradient nonlinear spin echo method'" [J. Chem. Phys. 116, 1204 (2002)] AU Ioan Ardelean and Rainer Kimmich PP 1206 TE Erratum: "Density depletion profile and solvation free energy of a colloidal particle in a polymer solution" [J. Chem. Phys., v.115, 5292 (2001)] AU R.Maassen, E.Eisenriegler, and A.Bringer PP 1207