Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.5 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (58 articles)

1589 - 1592	Coupling of internal rotation of methyl group with proton transfer in the S-1 state of 5-methyltropolone Nishi K, Sekiya H, Kawakami H, Mori A, Nishimura Y
1593 - 1600	Fitting basis sets for the RI-MP2 approximate second-order many-body perturbation theory method Bernholdt DE, Harrison RJ
1601 - 1606	Electron momentum densities of atoms Koga T, Matsuyama H, Inomata H, Romera E, Dehesa JS, Thakkar AJ
1607 - 1612	A soft Hartree-Fock pseudopotential for carbon with application to quantum Monte Carlo Greeff CW, Lester WA
1613 - 1616	Numerical transfer-matrix simulations of S=1 molecular magnetic chains D'Auria AC, Esposito U, Esposito F, Gatteschi D, Kamieniarz G, Walcerz S
1617 - 1632	Overcoming stability limitations in biomolecular dynamics. I. Combining force splitting via extrapolation with Langevin dynamics in LN Barth E, Schlick T
1633 - 1642	Extrapolation versus impulse in multiple-timestepping schemes. II. Linear analysis and applications to Newtonian and Langevin dynamics Barth E, Schlick T
1643 - 1647	A j-walking algorithm for microcanonical simulations: Applications to Lennard-Jones clusters Curotto E, Freeman DL, Doll JD
1648 - 1653	Implementation of a quantum algorithm on a nuclear magnetic resonance quantum computer Jones JA, Mosca M
1654 - 1662	Optimal control of multisurface molecular systems Cheng JX, Shen ZW, Yan YJ
1663 - 1669	Linear and sublinear scaling formation of Hartree-Fock-type exchange matrices Ochsenfeld C, White CA, Head-Gordon M
1670 - 1686	Variational calculation of macrostate transition rates Ulitsky A, Shalloway D
1687 - 1697	Theoretical analysis of electronic delocalization Mo YR, Peyerimhoff SD
1698 - 1703	Photodissociation dynamics of tert-butyl hydroperoxide at 266 nm: Degenerate four-wave mixing observation of OH state distribution Kim DC, Lee KW, Jung KH, Hahn JW
1704 - 1712	Electron impact dissociative ionization of ethane: Cross sections, appearance potentials, and dissociation pathways Tian CC, Vidal CR
1713 - 1715	The critical hydration reactions of NO+ and NO2+ Angel L, Stace AJ
1716 - 1720	Positron chemistry by quantum Monte Carlo. II. Ground-state of position-polar molecule complexes Bressanini D, Mella M, Morosi G
1721 - 1733	Spectra and time-dependent dynamics of H-3 near the conical intersection in the (2p)1 E ' ground electronic manifold Mahapatra S, Koppel H
1734 - 1742	Quantum calculations of inelastic and dissociative scattering of HCO by Ar Qi JX, Bowman JM
1743 - 1747	Energy dependence of the isomerization of HCN+ to HNC+ via ion molecule reactions Hansel A, Glantschnig M, Scheiring C, Lindinger W, Ferguson EE
1748 - 1750	Thermochemistry of HNC, HNC+, and CF3+ Hansel A, Scheiring C, Glantschnig M, Lindinger W, Ferguson EE
1751 - 1757	The application of a VUV Fourier transform spectrometer and synchrotron radiation source to measurements of: I. The beta(9,0) band of NO Yoshino K, Esmond JR, Parkinson WH, Thorne AP, Murray JE, Learner RCM, Cox G, Cheung ASC, Leung KWS, Ito K, Matsui T, Imajo T
1758 - 1762	Photodissociation of O-2 at 157 nm: Experimental observation of anisotropy mixing in the O-2+hv -> O(P-3)+O(P-3) channel Lin JJ, Hwang DW, Lee YT, Yang XM
1763 - 1771	Analysis of the bound-free emission spectra from the E(O+) and f(O+) ion-pair states of ClF to obtain potentials for the ion-pair and repulsive valence states Kokh DB, Alekseev VA, Setser DW
1772 - 1780	Is F-3(+) viable? A high-level ab initio comparison of F-3(+) and Cl-3(+) Valeev EF, Botee HM, Schaefer HF
1781 - 1786	Vacuum ultraviolet laser pulsed field ionization photoelectron studies of polyatomic species: Accurate ionization energies of CH3SH and CH3CH2SH Cheung YS, Huang JC, Ng CY
1787 - 1800	Statistical modeling of competitive threshold collision-induced dissociation Rodgers MT, Armentrout PB
1801 - 1809	A theoretical study on laser control of a molecular nonadiabatic process by ultrashort chirped laser pulses Mishima K, Yamashita K
1810 - 1818	New (A)over-tilde-(X)over-tilde vibronic bands of laser-vaporized C-3 Izuha M, Yamanouchi K
1819 - 1823	Rotational alignment of products from NOCl+Sr chemiluminescent reaction Zhan JP, Yang HP, Han KL, Wang ML, Deng WQ, He GZ, Lou NQ
1824 - 1832	Statistical analysis of the computed (X)over-tilde(2)A(1)/(A)over-tilde(2)B(2) spectrum of NO2: Some insights into the causes of its irregularity Santoro F
1833 - 1844	All electron density functional study of neutral and ionic polybromine clusters Schuster P, Mikosch H, Bauer G
1845 - 1859	The electronic, vibrational and rotational contributions to the dipole moment, polarizability, and first and second, hyperpolarizabilities of the BH molecule Ingamells VE, Papadopoulos MG, Handy NC, Willetts A
1860 - 1862	A method for measuring the diffusivity of a liquid into a porous matrix Choi CH, Peternelj J, Pintar MM
1863 - 1866	Optical and X-ray studies of thin mixed crystals of NaCl-typed RbI and CsCl-typed CsI Hirai T, Ichimura N, Hashimoto S, Nakayama T, Yoshimura Y, Iwasaki H
1867 - 1872	Dynamical structure of water in NaCl aqueous solution Mizoguchi K, Ujike T, Tominaga Y
1873 - 1884	Deuterium to carbon cross-polarization in liquid crystals Hodgkinson P, Auger C, Emsley L
1885 - 1893	Anisotropy of the charge-carrier mobility in polydiacetylene crystals Hoofman RJOM, Siebbeles LDA, de Haas MP, Hummel A, Bloor D
1894 - 1900	Femtosecond hole-burning spectroscopy with stimulated emission pumping and supercontinuum probing Kovalenko SA, Ruthmann J, Ernsting NP
1901 - 1911	Resonance Raman study of solvent dynamics on the spectral broadening and intramolecular charge transfer of a hemicyanine dye in aqueous solution Cao X, McHale JL
1912 - 1919	Normal mode dynamics in simple liquids Kramer N, Buchner M, Dorfmuller T
1920 - 1929	Temperature-dependent infrared spectroscopic and crystallographic study of alpha,alpha '-dimethyl oligothiophenes in neutral form Ramirez FJ, Aranda MAG, Hernandez V, Casado J, Hotta S, Navarrete JTL
1930 - 1938	Static structure of electrolyte systems and the linear response function on the basis of a dressed-ion theory Varela LM, Perez-Rodriguez M, Garcia M, Sarmiento F, Mosquera V
1939 - 1958	Frequency and wave-vector dependent dielectric function of water: Collective modes and relaxation spectral Bopp PA, Kornyshev AA, Sutmann G
1959 - 1965	Comparison of the structures of the liquid-vapor interfaces of Al, Ga, In, and Tl Zhao MS, Chekmarev D, Rice SA
1966 - 1975	Ten-dimensional wave packet simulations of methane scattering Milot R, Jansen APJ
1976 - 1982	Rainbow scattering of methane from LiF(100): Probing the corrugation and anisotropy of the gas-surface potential Wight AC, Miller RE
1983 - 1990	Gas adsorption effects on structural and electrical properties of activated carbon fibers Kobayashi N, Enoki T, Ishii C, Kaneko K, Endo M
1991 - 2001	A three-dimensional potential energy surface for dissociative adsorption and associative desorption at metal electrodes Koper MTM, Voth GA
2002 - 2005	Stochastic resonance in surface catalytic oxidation of carbon monoxide Yang LF, Hou ZH, Xin HW
2006 - 2010	Structure of octadecanol monolayers: An x-ray diffraction study Brezesinski G, Kaganer VM, Mohwald H, Howes PB
2011 - 2022	Influence of the solvent on the conformation of a chain molecule Gan HH, Eu BC
2023 - 2030	Mean field theory for solutions of main-chain liquid-crystalline polymers Matsuyama A, Kato T
2031 - 2037	Experimental and theoretical study of ring substituent induced effects on the structural and optical properties of poly(p-pyridylvinylene-phenylenevinelyne)s Fahlman M, Gebler DD, Piskun N, Swager TM, Epstein AJ
2038 - 2042	Depolarized light scattering in the isotropic phase of liquid crystals Shibata T, Matsuoka T, Koda S, Nomura H
2043 - 2043	A unified framework for quantum activated rate processes. II. The nonadiabatic limit (vol 106, pg 1769, 1997) Cao JS, Voth GA
2044 - 2044	Solubility limits of silicate melts (vol 106, pg 6460, 1997) Corrales LR, Keefer KD
2045 - 2045	On the numerical solutions of kinetic equations for diffusion-influenced bimolecular reactions (vol 108, pg 5861, 1998) Kim H, Shin S, Shin KJ