Journal of Chemical Physics

Journal of Chemical Physics, Vol.114, No.17 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (46 articles)

7299 - 7302	Length scale of dynamic heterogeneity in supercooled glycerol near T-g Reinsberg SA, Qiu XH, Wilhelm M, Spiess HW, Ediger MD
7303 - 7311	Accuracy of free-energy perturbation calculations in molecular simulation. I. Modeling Lu ND, Kofke DA
7312 - 7329	Quantum partition functions from classical distributions: Application to rare-gas clusters Calvo F, Doye JPK, Wales DJ
7330 - 7337	Fast-growth thermodynamic integration: Error and efficiency analysis Hummer G
7338 - 7341	Fourth order gradient symplectic integrator methods for solving the time-dependent Schrodinger equation Chin SA, Chen CR
7342 - 7350	Assessment of the quality of orbital energies in resolution-of-the-identity Hartree-Fock calculations using deMon auxiliary basis sets Hamel S, Casida ME, Salahub DR
7351 - 7360	Fingerprints of the nodal structure of autoionizing vibrational wave functions in clusters: Interatomic Coulombic decay in Ne dimer Moiseyev N, Santra R, Zobeley J, Cederbaum LS
7361 - 7367	Matrix isolation spectroscopy of propylbenzene conformers and trapping sites Dvir S, Haas Y
7368 - 7378	High resolution absorption spectrum of N2O between 75 000 and 104 000 cm(-1) Cossart-Magos C, Jungen M, Launay F
7379 - 7387	Observation of collision induced state-to-state energy transfer in electronically and highly rotationally excited NH2 Wilhelm R, Lindner J
7388 - 7395	The electronic structure of CuCl2 and CuBr2 from anion photoelectron spectroscopy and ab initio calculations Wang XB, Wang LS, Brown R, Schwerdtfeger P, Schroder D, Schwarz H
7396 - 7406	Three-center versus four-center elimination in photolysis of vinyl fluoride and vinyl bromide at 193 nm: Bimodal rotational distribution of HF and HBr (v <= 5) detected with time-resolved Fourier transform spectroscopy Lin SR, Lin SC, Lee YC, Chou YC, Chen IC, Lee YP
7407 - 7412	Electron collisions with octafluorocyclobutane, c-C4F8 Winstead C, McKoy V
7413 - 7423	Ab initio and diatomics in molecule potentials for I-2(-), I-2, I-3(-), and I-3 Vala J, Kosloff R, Harvey JN
7424 - 7442	The infrared-ultraviolet dispersed fluorescence spectrum of acetylene: New classes of bright states Hoshina K, Iwasaki A, Yamanouchi K, Jacobson MP, Field RW
7443 - 7449	Ab initio electronic structure of HCN- and HNC- dipole-bound anions and a description of electron loss upon tautomerization Skurski P, Gutowski M, Simons J
7450 - 7460	Ground and excited states of HNC, NH, and NH2 transients: Ab initio geometries, electronic structures, and molecular properties Pd P, Chandra P
7461 - 7470	A quantum and semiclassical study of dynamical resonances in the C+NO -> CN+O reaction Abrol R, Wiesenfeld L, Lambert B, Kuppermann A
7471 - 7476	Theory of time dependent optical linewidths in supercooled liquids Richert R
7477 - 7482	Structure and electronic properties of carbon onions Tomita S, Sakurai T, Ohta H, Fujii M, Hayashi S
7483 - 7496	Reliability theory for receptor-ligand bond dissociation Tees DFJ, Woodward JT, Hammer DA
7497 - 7505	A molecular approach to quantum fluids based on a generalized Ornstein-Zernike integral equation Shinoda K, Miura S, Okazaki S
7506 - 7512	The cooling rate dependence of crystallization for liquid copper: A molecular dynamics study Liu CS, Xia JC, Zhu ZG, Sun DY
7513 - 7517	Molecular-dynamics simulations of ion size effects on the fluid structure of aqueous electrolyte systems between charged model electrodes Crozier PS, Rowley RL, Henderson D
7518 - 7526	Dynamics of the water-catalyzed phototautomerization of 7-azaindole Fernandez-Ramos A, Smedarchina Z, Siebrand W, Zgierski MZ
7527 - 7535	The hydrophobic hydration of methane as a function of temperature from histogram reweighting Monte Carlo simulations Hernandez-Cobos J, Mackie AD, Vega LF
7536 - 7543	Picosecond time-resolved resonance Raman observation of the iso-CH2Cl-I and iso-CH2I-Cl photoproducts from the "photoisomerization" reactions of CH2ICl in the solution phase Kwok WM, Ma CS, Parker AW, Phillips D, Towrie M, Matousek P, Zheng XM, Phillips DL
7544 - 7555	Computer simulation studies of aqueous solutions at ambient and supercritical conditions using effective pair potential and polarizable potential models for water Koneshan S, Rasaiah JC, Dang LX
7556 - 7562	Conductivity of deionized two-component colloidal suspensions Wette P, Schope HJ, Biehl R, Palberg T
7563 - 7569	Random sequential adsorption and diffusion of dimers and k-mers on a square lattice Fusco C, Gallo P, Petri A, Rovere M
7570 - 7573	Annealing thin colloidal crystals with optical gradient forces Korda PT, Grier DG
7574 - 7580	An effective Hamiltonian for correlations in interfaces Stecki J
7581 - 7592	Vibrational de-excitation of v=1 H-2 during collisions with a Cu(100) surface Mowrey RC, McCormack DA, Kroes GJ, Baerends EJ
7593 - 7601	Molecular simulation and continuum mechanics investigation of viscoelastic properties of fluids confined to molecularly thin films Khare R, de Pablo J, Yethiraj A
7602 - 7614	Structure and dynamics of amorphous silica surfaces Roder A, Kob W, Binder K
7615 - 7621	Adsorption state of dimethyl disulfide on Au(111): Evidence for adsorption as thiolate at the bridge site Hayashi T, Morikawa Y, Nozoye H
7622 - 7626	Formation of n-alcohol crystallites from solution Kozisek Z, Koga T, Sato K, Demo P
7627 - 7632	A statistical model for the length distribution of meshes in a polymer network Lang M, Michalke W, Kreitmeier S
7633 - 7643	Coupled-perturbed Hartree-Fock theory for infinite periodic systems: Calculation of static electric properties of (LiH)(n), (FH)(n), (H2O)(n), (-CNH-)(n), and (-CH=CH-)(n) Bishop DM, Gu FL, Kirtman B
7644 - 7654	Phase behavior of monomeric mixtures and polymer solutions with soft interaction potentials Wijmans CM, Smit B, Groot RD
7655 - 7668	Soft ellipsoid model for Gaussian polymer chains Eurich F, Maass P
7669 - 7681	A three-dimensional statistical mechanical model of folding double-stranded chain molecules Zhang WB, Chen SJ
7682 - 7687	Multilayer adsorption model for the protein-ligand interaction Varela LM, Garcia M, Perez-Rodriguez M, Taboada P, Ruso JM, Mosquera V
7688 - 7699	Solvent effects on the collapse dynamics of polymers Chang RW, Yethiraj A
7700 - 7712	Polyelectrolytes tethered to a similarly charged surface Borisov OV, Leermakers FAM, Fleer GJ, Zhulina EB
7713 - 7713	Time evolution of reactants, intermediates and products in the vibrational predissociation of Br-2 center dot center dot center dot Ne: A theoretical study (vol 113, pg 10130, 2000) Miguel B, Bastida A, Zuniga J, Requena A, Halberstadt N