Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.19 Entire volume, number list
ISSN: 0021-9606 (Print) 

In this Issue (48 articles)

8247 - 8250 What is the shape of pores in natural rocks?
Chen Q, Song YQ
8251 - 8254 Resonant two-photon ionization study of jet-cooled amino acid: L-phenylalanine and its monohydrated complex
Lee KT, Sung J, Lee KJ, Kim SK, Park YD
8255 - 8261 A black-box self-consistent field convergence algorithm: One step closer
Kudin KN, Scuseria GE, Cances E
8262 - 8269 Torsional path integral Monte Carlo method for the quantum simulation of large molecules
Miller TF, Clary DC
8270 - 8275 Accurate relativistic Gaussian basis sets determined by the third-order Douglas-Kroll approximation with a finite-nucleus model
Nakajima T, Hirao K
8276 - 8291 Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction
Hamel S, Casida ME, Salahub DR
8292 - 8299 Experimental and theoretical investigations of the O(D-1) reaction with cyclopropane
Wang CC, Shu J, Lin JJ, Lee YT, Yang XM, Nguyen TL, Mebel AM
8300 - 8306 Photodissociation of the hydroxymethyl radical. I. The role of conical intersections in line broadening and decomposition pathways
Hoffman BC, Yarkony DR
8307 - 8317 Entropic effects on the structure of Lennard-Jones clusters
Doye JPK, Calvo F
8318 - 8326 Memory kernels and effective Hamiltonians from time-dependent methods. II. Vibrational predissociation
Brems V, Desouter-Lecomte M
8327 - 8333 Global optimization analysis of water clusters (H2O)(n) (11 <= n <= 13) through a genetic evolutionary approach
Guimaraes FF, Belchior JC, Johnston RL, Roberts C
8334 - 8342 Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O
Christiansen O, Ruden TA, Ruud K, Helgaker T
8343 - 8352 Vinyl radical visible spectroscopy and excited state dynamics
Shahu M, Yang CH, Pibel CD, McIlroy A, Taatjes CA, Halpern JB
8353 - 8366 Coupled quasidiabatic potential energy surfaces for LiFH
Jasper AW, Hack MD, Truhlar DG, Piecuch P
8367 - 8375 Electronic and vibrational predissociation in ArI2 photodissociation dynamics
Lepetit B, Roncero O, Buchachenko AA, Halberstadt N
8376 - 8383 Calculating approximate quantum mechanical rates without an a priori reaction coordinate
Brumer Y, Golosov AA, Chen ZD, Reichman DR
8384 - 8395 Laser-assisted (1+1')-photon ionization-detected absorption spectrum of the 3p pi (2)Pi state of HCO and DCO
Robinson JD, Foltynowicz RJ, Prentice K, Bell P, Grant ER
8396 - 8406 Theoretical study of the unusual potential energy curve of the A (1)Sigma(+) state of AgH
Witek HA, Fedorov DG, Hirao K, Viel A, Widmark PO
8407 - 8410 Magnetic field induced alignment of cyanine dye J-aggregates
Shklyarevskiy IO, Boamfa MI, Christianen PCM, Touhari F, van Kempen H, Deroover G, Callant P, Maan JC
8411 - 8417 SF6 and its clusters in solid parahydrogen studied by infrared spectroscopy
Katsuki H, Momose T, Shida T
8418 - 8428 Dissipative mixed quantum-classical simulation of the aqueous solvated electron system
Wong KF, Rossky PJ
8429 - 8438 Solvent-induced electronic decoherence: Configuration dependent dissipative evolution for solvated electron systems
Wong KF, Rossky PJ
8439 - 8446 Dynamical instabilities in liquid nuclear magnetic resonance experiments with large nuclear magnetization, with and without pulsed field gradients
Jeener J
8447 - 8454 Chemical equilibrium in supercritical fluids: Solvent effects on the dimerization equilibrium constant
Egorov SA, Rabani E
8455 - 8462 Anomalies in the self-diffusion coefficient near the critical point
Cherayil BJ
8463 - 8468 Mesoscale structure and fractal nature of 1-propanol aqueous solution: A reverse Monte Carlo analysis of small angle neutron scattering intensity
Misawa M
8469 - 8482 Dielectric relaxation of electrolyte solutions using terahertz transmission spectroscopy
Asaki MLT, Redondo A, Zawodzinski TA, Taylor AJ
8483 - 8491 Square-well fluids: The statistical and thermodynamic properties of short chains
Fridrikh SV, Lipson JEG
8492 - 8503 Properties of the path-integral quantum hard-sphere fluid in k space
Sese LM
8504 - 8508 Effects of three-body interactions on the structure and thermodynamics of liquid krypton
Jakse N, Bomont JM, Bretonnet JL
8509 - 8516 A simple weighted-density-functional approach to the structure of inhomogeneous fluids
Patra CN, Ghosh SK
8517 - 8522 Integral equation theory of Lennard-Jones fluids: A modified Verlet bridge function approach
Choudhury N, Ghosh SK
8523 - 8532 Nanocages of layered BN: Super-high-pressure nanocells for formation of solid nitrogen
Golberg D, Bando Y, Sato T, Grobert N, Reyes-Reyes M, Terrones H, Terrones M
8533 - 8546 Local membrane ordering of sponge phases at a solid-solution interface
Hamilton WA, Porcar L, Butler PD, Warr GG
8547 - 8555 On simulation methods to compute surface and interfacial free energies of disordered solids
Grochola G, Russo SP, Snook IK, Yarovsky I
8556 - 8559 Electron-stimulated desorption of positive ions from methane and fluoromethane nanoclusters
Souda R
8560 - 8570 Exact numerical computation of a kinetic energy operator in curvilinear coordinates
Lauvergnat D, Nauts A
8571 - 8577 Directed dynamic self-assembly of objects rotating on two parallel fluid interfaces
Grzybowski BA, Whitesides GM
8579 - 8587 Foldability and the funnel of HP-36 protein sequence: Use of hydropathy scale in protein folding
Srinivas G, Bagchi B
8588 - 8595 The phase behavior of charged colloidal systems in the mean spherical approximation
Petris SN, Chan DYC
8596 - 8609 Fluorescence and absorption spectra of oligophenylenevinylenes: Vibronic coupling, band shapes, and solvatochromism
Gierschner J, Mack HG, Luer L, Oelkrug D
8610 - 8615 The symmetric broadening of the water relaxation peak in polymer-water mixtures and its relationship to the hydrophilic and hydrophobic properties of polymers
Ryabov YE, Feldman Y, Shinyashiki N, Yagihara S
8616 - 8624 Dynamics of dendrimers and of randomly built branched polymers
von Ferber C, Blumen A
8625 - 8631 Phase diagrams for a multistep potential model of n-alkanes by discontinuous molecular dynamics and thermodynamic perturbation theory
Cui JY, Elliott JR
8632 - 8633 Analysis of the equations-of-state of water in the metastable region at high pressures
Tchijov V
8634 - 8635 Collision induced phenomena on the CO/H/Ni(100) surface
Takaoka T, Inamura M, Yanagimachi S, Kusunoki I
8636 - 8636 Temperature dependence of hydrophobic interactions: A mean force perspective, effects of water density, and nonadditivity of thermodynamic signatures (vol 113, pg 4683, 2000)
Shimizu S, Chan HS
8637 - 8637 Multicomponent mixture of charged hard-sphere chain molecules in the polymer mean-spherical approximation (vol 115, pg 540, 2001)
Kalyuzhnyi YV, Cummings PT