Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.19 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (43 articles)

8751 - 8754	Relationship between bipolar moments and molecule-frame polarization parameters in Doppler photofragment spectroscopy Rakitzis TP, Hall GE, Costen ML, Zare RN
8755 - 8758	Absorption spectroscopy on single molecules in solids Kador L, Latychevskaia T, Renn A, Wild UP
8759 - 8772	The multiconfiguration time-dependent Hartree method generalized to the propagation of density operators Raab A, Burghardt I, Meyer HD
8773 - 8777	Ab initio classical trajectories on the Born-Oppenheimer surface: Updating methods for Hessian-based integrators Bakken V, Millam JM, Schlegel HB
8778 - 8784	Fast computation of analytical second derivatives with effective core potentials: Application to Si8C12, Ge8C12, and Sn8C12 Bode BM, Gordon MS
8785 - 8788	A simple scheme for the direct calculation of ionization potentials with coupled-cluster theory that exploits established excitation energy methods Stanton JF, Gauss J
8789 - 8798	The mapping of the conditional pair density onto the electron density Bader RFW, Heard GL
8799 - 8803	The accurate calculation and prediction of the bond dissociation energies in a series of hydrocarbons using the IMOMO (integrated molecular orbital plus molecular orbital) methods Vreven T, Morokuma K
8804 - 8818	Iterative and direct methods employing distributed approximating functionals for the reconstruction of a potential energy surface from its sampled values Szalay V
8819 - 8824	Comparison study of the prediction of Raman intensities using electronic structure methods Halls MD, Schlegel HB
8825 - 8831	Rapid and stable determination of rotation matrices between spherical harmonics by direct recursion Choi CH, Ivanic J, Gordon MS, Ruedenberg K
8832 - 8837	Exact conditions on physically realizable correlation functions of random media Torquato S
8838 - 8851	Anion photoelectron spectroscopy of B2N- Asmis KR, Taylor TR, Neumark DM
8852 - 8856	Guided ion beam investigation of the reaction CO++CO: C-O bond activation and C-C bond formation Lu WY, Tosi P, Bassi D
8857 - 8866	Doppler-free optical-optical double resonance polarization spectroscopy of the (KRb)-K-39-Rb-85 1 (1)Pi and 2 (1)Pi states Kasahara S, Fujiwara C, Okada N, Kato H, Baba M
8867 - 8870	Tricapped tetrahedral Ag-7: A structural determination by resonance Raman spectroscopy and density functional theory Bosnick KA, Haslett TL, Fedrigo S, Moskovits M, Chan WT, Fournier R
8871 - 8878	Ultrafast structural deformation of NO2 in intense laser fields studied by mass-resolved momentum imaging Hishikawa A, Iwamae A, Yamanouchi K
8879 - 8892	Rotationally resolved pulsed field ionization photoelectron study of CO+(X (2)Sigma(+),v(+)=0-42) in the energy range of 13.98-21.92 eV Evans M, Ng CY
8893 - 8903	Quantum scattering calculations for H2S-He between 1-600 K in comparison with pressure broadening, shift, and time resolved double resonance experiments Ball CD, Mengel M, De Lucia FC, Woon DE
8904 - 8912	Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene Hirata S, Lee TJ, Head-Gordon M
8913 - 8924	Ab initio ground potential energy surface and quasiclassical trajectory study of the O(D-1)+CH4(X (1)A(1))-> OH(X (2)Pi)+CH3(X (2)A(2)'') reaction dynamics Gonzalez M, Hernando J, Banos I, Sayos R
8925 - 8933	Ab initio calculations of structural and electronic properties of small silver bromide clusters Rabilloud F, Spiegelmann F, Heully JL
8934 - 8938	Penning detachment from atomic clusters Martin F, Madjet ME, Hervieux PA, Hanssen J, Politis MF, Berry RS
8939 - 8949	The (NO)(2) dimer and its ions: Is the solution near? Urban B, Strobel A, Bondybey VE
8950 - 8962	Intramolecular vibrational energy redistribution and intermolecular energy transfer in the (d, d) excited state of nickel octaethylporphyrin Mizutani Y, Uesugi Y, Kitagawa T
8963 - 8969	N-14 nuclear magnetic resonance of polycrystalline solids with fast spinning at or very near the magic angle Khitrin AK, Fung BM
8970 - 8979	Three pulse photon echo studies of nondipolar solvation: Comparison with a viscoelastic model Larsen DS, Ohta K, Fleming GR
8980 - 8986	Core-softened potentials and the anomalous properties of water Jagla EA
8987 - 8999	Viscosity dependence and solvent effects in the photoisomerization of cis-stilbene: Insight from a molecular dynamics study with an ab initio potential-energy function Berweger CD, van Gunsteren WF, Muller-Plathe F
9000 - 9008	Ion association and condensation in primitive models of electrolyte solutions Camp PJ, Patey GN
9009 - 9024	On the ferromagnetic and antiferromagnetic properties of molecular crystals Datta SN, Misra A
9025 - 9033	Molecular dynamics simulations in the grand canonical ensemble: Application to clay mineral swelling Shroll RM, Smith DE
9034 - 9038	Phase coexistence properties for the polarizable point charge model of water and the effects of applied electric field Svishchev IM, Hayward TM
9039 - 9052	Thermodynamics of binary mixture glasses Coluzzi B, Mezard M, Parisi G, Verrocchio P
9053 - 9057	Influence of steps on the interaction between adsorbed hydrogen atoms and a nickel surface Hanbicki AT, Darling SB, Gaspar DJ, Sibener SJ
9058 - 9067	Freezing of simple fluids in microporous activated carbon fibers: Comparison of simulation and experiment Radhakrishnan R, Gubbins KE, Watanabe A, Kaneko K
9068 - 9072	Molecular view of polymer flow into a strongly attractive slit Baljon ARC, Lee JY, Loring RF
9073 - 9081	Comparisons between integral equation theory and molecular dynamics simulations for realistic models of polyethylene liquids Curro JG, Webb EB, Grest GS, Weinhold JD, Putz M, McCoy JD
9082 - 9085	Molecular dynamics studies of chainlike molecules confined in a carbon nanotube Zhang F
9086 - 9092	Experimental simulation of macromolecules in trehalose aqueous solutions: A photon correlation spectroscopy study Magazu S, Maisano G, Migliardo P, Villari V
9093 - 9110	Polarizability tensor theory based upon a Bayley-Nielsen-Schellman-type model Hamiltonian: Circular dichroism calculations of polypeptides Ito H
9111 - 9112	Embedded atom model calculations of the diffusion coefficient of Ni impurity in liquid Al Alemany MMG, Rey C, Gallego LJ
9113 - 9113	Comment on "Monte Carlo simulations of smectic phase transitions in flexible-rigid-flexible molecules" [J-Chem. Phys. 110, 12183 (1999)] Fung BM, Brauniger T