Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.23 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (66 articles)

11523 - 11526	Predissociation spectroscopy of the argon-solvated H5O2+ "zundel" cation in the 1000-1900 cm(-1) region Headrick JM, Bopp JC, Johnson MA
11527 - 11529	Near-infrared electronic spectrum of CH2+ Gottfried JL, Oka T
11530 - 11534	Real-time detection of doorway states in the intramolecular vibrational energy redistribution of the OH/OD stretch vibration of phenol Yamada Y, Mikami N, Ebata T
11535 - 11541	Using preconditioned adaptive step size Runge-Kutta methods for solving the time-dependent Schrodinger equation Tremblay JC, Carrington T
11542 - 11556	Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: Convergence toward Born-Oppenheimer trajectories Herbert JM, Head-Gordon M
11557 - 11561	A ground state potential energy surface for H-2 using Monte Carlo methods Alexander SA, Coldwell RL
11562 - 11571	The curvature of the conical intersection seam: An approximate second-order analysis Paterson MJ, Bearpark MJ, Robb MA, Blancafort L
11572 - 11580	Semiclassical Liouville method for the simulation of electronic transitions: Single ensemble formulation Roman E, Martens CC
11581 - 11586	The "JK-only" approximation in density matrix functional and wave function theory Kollmar C
11587 - 11598	Multiresolution quantum chemistry: Basic theory and initial applications Harrison RJ, Fann GI, Yanai T, Gan Z, Beylkin G
11599 - 11613	HEAT: High accuracy extrapolated ab initio thermochemistry Tajti A, Szalay PG, Csaszar AG, Kallay M, Gauss J, Valeev EF, Flowers BA, Vazquez J, Stanton JF
11614 - 11624	Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces Barbatti M, Paier J, Lischka H
11625 - 11628	Investigating the (MHe)-He-* exciplexes, M={Li,Na,K,Rb,Cs,Fr}: Density functional approach Zbiri M, Daul C
11629 - 11638	Study of ab initio molecular data for inelastic and reactive collisions involving the H-3(+) quasimolecule Barragan P, Errea LF, Macias A, Mendez L, Rabadan I, Riera A, Lucas JM, Aguilar A
11639 - 11644	Zeeman effect in CaF((2)Pi(3/2)) Krems RV, Egorov D, Helton JS, Maussang K, Nguyen SV, Doyle JM
11645 - 11652	Photodissociation of laboratory oriented molecules: Revealing molecular frame properties of nonaxial recoil van den Brom AJ, Rakitzis TP, Janssen MHM
11653 - 11660	Absolute electron-impact total ionization cross sections of chlorofluoromethanes Martinez R, Sierra B, Redondo C, Rayo MNS, Castano F
11661 - 11667	A density functional study on nitrogen-doped carbon clusters CnN3-(n=1-8) Chen MD, Liu JW, Dang L, Zhang Q, Au CT
11668 - 11674	The triplet state of cytosine and its derivatives: Electron impact and quantum chemical study Abouaf R, Pommier J, Dunet H, Quan P, Nam PC, Nguyen MT
11675 - 11690	Lifetime of reactive scattering resonances: Q-matrix analysis and angular momentum dependence for the F+H-2 reaction by the hyperquantization algorithm Aquilanti V, Cavalli S, Simoni A, Aguilar A, Lucas JM, De Fazio D
11691 - 11701	Steric asymmetry and lambda-doublet propensities in state-to-state rotationally inelastic scattering of NO((2)Pi(1/2)) with He de Lange MJL, Stolte S, Taatjes CA, Klos J, Groenenboom GC, van der Avoird A
11702 - 11714	Crossed beams and theoretical studies of the dynamics of hyperthermal collisions between Ar and ethane Brunsvold AL, Garton DJ, Minton TK, Troya D, Schatz GC
11715 - 11730	The rotational spectrum and dynamical structure of LiOH and LiOD: A combined laboratory and ab initio study Higgins KJ, Freund SM, Klemperer W, Apponi AJ, Ziurys LM
11731 - 11745	The Huggins band of ozone: A theoretical analysis Qu ZW, Zhu H, Grebenshchikov SY, Schinke R, Farantos SC
11746 - 11759	Vibrational mode and collision energy effects on reaction of H2CO+ with C2D4 Liu JB, Van Devener B, Anderson SL
11760 - 11770	Chemiluminescent reactions of manganese with fluorine: Influence of dynamics on product energy partitioning in vibration and rotation of MnF*(b,c) Green KM, Parson JM
11771 - 11779	Collisionally assisted, highly selective laser isotope separation of carbon-13 Polianski M, Boyarkin OV, Rizzo TR
11780 - 11797	Dispersed fluorescence spectroscopy of primary and secondary alkoxy radicals Jin J, Sioutis I, Tarczay G, Gopalakrishnan S, Bezant A, Miller TA
11798 - 11801	First principles determination of the bound levels of HeLi- Backlund B, Shih A, Gellene GI
11802 - 11809	Two-photon state selection and angular momentum polarization probed by velocity map imaging: Application to H atom photofragment angular distributions from the photodissociation of two-photon state selected HCl and HBr Manzhos S, Romanescu C, Loock HP, Underwood JG
11810 - 11838	High-resolution millimeter wave spectroscopy and multichannel quantum defect theory of the hyperfine structure in high Rydberg states of molecular hydrogen H-2 Osterwalder A, Wuest A, Merkt F, Jungen C
11839 - 11855	Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes Murdachaew G, Szalewicz K, Jiang H, Bacic Z
11856 - 11866	Thermodynamic anomalies in a lattice model of water Pretti M, Buzano C
11867 - 11875	Driving force and composition for multicomponent gas hydrate nucleation from supersaturated aqueous solutions Anklam MR, Firoozabadi A
11876 - 11884	Tunneling of excess electron from free and trapped states Fedorenko SG, Burshtein AI
11885 - 11899	Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions Bernasconi L, Blumberger J, Sprik M, Vuilleumier R
11900 - 11906	The matrix-isolated molecular complexes CO/XF (X=Cl,Br,I) and the molecular structure of FC(O)Br Garcia P, Willner H, Oberhammer H, Francisco JS
11907 - 11911	Formation of high density amorphous ice by decompression of ice VII and ice VIII at 135 K McBride C, Vega C, Sanz E, Abascal JLF
11912 - 11915	Nonlinear interactions in the density fingering of an acidity front Bansagi T, Horvath D, Toth A
11916 - 11926	Proton dynamics in the perchloric acid clathrate hydrate HClO4 center dot 5.5H(2)O Desmedt A, Stallmach F, Lechner RE, Cavagnat D, Lassegues JC, Guillaume F, Grondin J, Gonzalez MA
11927 - 11941	Nuclear magnetic resonance proton dipolar order relaxation in thermotropic liquid crystals: A quantum theoretical approach Zamar RC, Mensio O
11942 - 11948	Coarse-grained simulations of lipid bilayers Stevens MJ
11949 - 11956	Long range interactions on wires: A reciprocal space based formalism Minary P, Morrone JA, Yarne DA, Tuckerman ME, Martyna GJ
11957 - 11964	Phase behavior of ionic fluids in slitlike pores: A density functional approach for the restricted primitive model Pizio O, Patrykiejew A, Sokolowski S
11965 - 11979	Inelastic electron tunneling spectroscopy in molecular junctions: Peaks and dips Galperin M, Ratner MA, Nitzan A
11980 - 11992	The vaporization rate of ice at temperatures near its melting point Sadtchenko V, Brindza M, Chonde M, Palmore B, Eom R
11993 - 11997	Conformation selective assembly of carboxyphenyl substituted porphyrins on Au (111) Yokoyama T, Kamikado T, Yokoyama S, Mashiko S
11998 - 12004	Effect of electron-phonon coupling on the conductance of a one-dimensional molecular wire Lakshmi S, Pati SK
12005 - 12009	Electron spectroscopy and scanning tunneling microscopy study of quasi-two-dimensional freezing at the liquid/vapor interface of Ga-Bi alloys Issanin A, Turchanin A, Freyland W
12010 - 12016	Growth of nanocrystalline MoO3 on Au(111) studied by in situ scanning tunneling microscopy Biener MM, Biener J, Schalek R, Friend CM
12017 - 12025	Molecular dynamics and density functional theory simulations of matrix deposition. II. Absolute site structure assignment for porphyrin in xenon Kyrychenko A, Gorski A, Waluk J
12026 - 12037	Structural investigations of polymer electrolyte poly(propylene oxide)-LiClO4 using diffraction experiments and reverse Monte Carlo simulation Carlsson P, Andersson D, Swenson J, McGreevy RL, Howells WS, Borjesson L
12038 - 12043	Landau model of the direct isotropic to smectic-C-A(*) phase transition in antiferroelectric liquid crystals Mukherjee PK, Giesselmann F
12044 - 12049	Low-temperature ordering effects in diblock copolymer melts from lattice simulation Woloszczuk S, Banaszak M, Jurga S, Pakula T, Radosz M
12050 - 12059	Viscoelastic properties of dendrimers in the melt from nonequlibrium molecular dynamics Bosko JT, Todd BD, Sadus RJ
12060 - 12066	Nucleation free energy of pore formation in an amphiphilic bilayer studied by molecular dynamics simulations Tolpekina TV, den Otter WK, Briels WJ
12067 - 12073	Isotropic-nematic transition of hard rods immersed in random sphere matrices Schmidt M, Dijkstra M
12074 - 12084	Nonanalytic curvature contributions to solvation free energies: Influence of drying Evans R, Henderson JR, Roth R
12085 - 12093	Effect of encaged aromatic guests on the shape and connectivity of molecular cavity in crystalline polystyrene evaluated by molecular simulations Tamai Y, Fukuda M
12094 - 12099	Entangled polymers in condensed phases Orlandini E, Whittington SG
12100 - 12103	Effective charge of colloidal particles Diehl A, Levin Y
12104 - 12111	The role of plastic beta-hairpin and weak hydrophobic core in the stability and unfolding of a full sequence design protein Lei HX, Duan Y
12112 - 12114	Statistical mechanics of wormlike polymers from a new generating function. II. The force-elongation relationship Carri GA
12115 - 12116	Comment on "New phase for one-component hard spheres" [J. Chem. Phys. 120, 11686 (2004)] Blaak R, Lowen H, Barrat JL
12117 - 12118	Response to "Comment on'New phase for one-component hard spheres' " [J. Chem. Phys. 120, 11686 (2004)] Wu GW, Sadus RJ
12119 - 12120	Photodissociation of polarized diatomic molecules in the axial recoil limit: Control of atomic polarization (vol 113, pg 7119, 2000) Underwood JG, Powis I