Journal of Chemical Physics

Journal of Chemical Physics, Vol.119, No.10 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (31 articles)

4997 - 5000	Insights into dynamics of the F+CD4 reaction via product pair correlation Zhou JG, Lin JJ, Shiu WC, Liu KP
5001 - 5004	Solvation of hydroxyl ions in water Botti A, Bruni F, Imberti S, Ricci MA, Soper AK
5005 - 5009	Bound states of positron with urea and acetone molecules using configuration interaction ab initio molecular orbital approach Tachikawa M, Buenker RJ, Kimura M
5010 - 5020	Simulation of quantum processes using entangled trajectory molecular dynamics Donoso A, Zheng YJ, Martens CC
5021 - 5036	Analytic gradients for excited states in the coupled-cluster model CC2 employing the resolution-of-the-identity approximation Kohn A, Hattig C
5037 - 5043	Topography of molecular scalar fields. I. Algorithm and Poincare-Hopf relation Balanarayan P, Gadre SR
5044 - 5057	Analytical energy gradients for internally contracted second-order multireference perturbation theory Celani P, Werner HJ
5058 - 5068	Nonadiabatic processes involving three electronic states. I. Branch cuts and linked pairs of conical intersections Han SS, Yarkony DR
5069 - 5077	Influence of laser bandwidth and transit time on the excitation probability of a rovibrational two-level system Marienfeld S, Pashayan Y, Vitanov NV, Shore BW, Hotop H, Bergmann K
5078 - 5084	Photodissociation of allyl-d(2) iodide excited at 193 nm: Stability of highly rotationally excited H2CDCH2 radicals to C-D fission Szpunar DE, Liu Y, McCullagh MJ, Butler LJ, Shu J
5085 - 5093	Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of vinyl bromide: Franck-Condon analysis and vibrational assignment Lee M, Kim MS
5094 - 5104	Characterization of dihydrogen-bonded D-H center dot center dot center dot H-A complexes on the basis of infrared and magnetic resonance spectroscopic parameters Cybulski H, Pecul M, Sadlej J, Helgaker T
5105 - 5116	Theory of a two-step enantiomeric purification of racemic mixtures by optical means: The D2S2 molecule Thanopulos I, Kral P, Shapiro M
5117 - 5120	A theoretical study of the conversion of gas phase methanediol to formaldehyde Kent DR, Widicus SL, Blake GA, Goddard WA
5121 - 5127	Nitrobenzene rotational energy barrier: A survey of several ab initio methods Sancho-Garcia JC, Perez-Jimenez AJ
5128 - 5141	Analysis of the bonding and reactivity of H and the Al-13 cluster using density functional concepts Mananes A, Duque F, Mendez F, Lopez MJ, Alonso JA
5142 - 5148	Relativistic correlating basis sets for the main group elements from Cs to Ra Noro T, Sekiya M, Osanai Y, Miyoshi E, Koga T
5149 - 5158	Photochemistry of phenol-(NH3)(n) clusters: Solvent effect on a radical cleavage of an OH bond in an electronically excited state and intracluster reactions in the product NH4(NH3)(n-1) (n <= 5) Daigoku K, Ishiuchi S, Sakai M, Fujii M, Hashimoto K
5159 - 5170	The 1,5-H-shift in 1-butoxy: A case study in the rigorous implementation of transition state theory for a multirotamer system Vereecken L, Peeters J
5171 - 5175	Diffusion in inhomogeneous and anisotropic media Christensen M, Pedersen JB
5176 - 5184	Infrared Q-branch absorption and rotationally-hindered species in liquids Medina A, Roco JMM, Hernandez AC, Velasco S
5185 - 5197	A simple polarizable model of water based on classical Drude oscillators Lamoureux G, MacKerell AD, Roux B
5198 - 5215	Generalized mean spherical approximation for a model of water with dipole, quadrupole, and short-range potential of tetrahedral symmetry Carlevaro CM, Blum L, Vericat F
5216 - 5225	The phase behavior of a binary mixture of rodlike and disclike mesogens: Monte Carlo simulation, theory, and experiment Galindo A, Haslam AJ, Varga S, Jackson G, Vanakaras AG, Photinos DJ, Dunmur DA
5226 - 5236	Quantitative analysis of orientational order in the molecular monolayer by surface second harmonic generation Rao Y, Tao YS, Wang HF
5237 - 5252	Resonance Raman spectroscopic study of fused multiporphyrin linear arrays Jeong DH, Jang SM, Hwang IW, Kim D, Matsuzaki Y, Tanaka K, Tsuda A, Nakamura T, Osuka A
5253 - 5266	Identification of new adsorption sites of H and D on rhodium(100) Pauer G, Eichler A, Sock M, Ramsey MG, Netzer F, Winkler A
5267 - 5273	Variable single electron charging energies and percolation effects in molecularly linked nanoparticle films Trudeau PE, Escorcia A, Dhirani AA
5274 - 5280	Monte Carlo simulations of copolymer adsorption at planar chemically patterned surfaces: Effect of surface domain sizes Semler JJ, Genzer J
5281 - 5289	Electromagnetic contribution to surface enhanced Raman scattering revisited Etchegoin P, Cohen LF, Hartigan H, Brown RJC, Milton MJT, Gallop JC
5290 - 5304	Polymer-specific effects of bulk relaxation and stringlike correlated motion in the dynamics of a supercooled polymer melt Aichele M, Gebremichael Y, Starr FW, Baschnagel J, Glotzer SC