Journal of Chemical Physics

Journal of Chemical Physics, Vol.112, No.4 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (47 articles)

1623 - 1633	New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems: Application to water dimer system Korchowiec J, Uchimaru T
1634 - 1644	Nonorthogonal localized molecular orbitals in electronic structure theory Liu SB, Perez-Jorda JM, Yang WT
1645 - 1654	Vibrational corrections to properties at arbitrary reference geometry Ingamells VE, Papadopoulos MG, Sadlej AJ
1655 - 1669	The open shell single reference size-consistent self-consistent singles and doubles configuration interaction method: Application to ionization potentials Pitarch-Ruiz J, Sanchez-Marin J, Maynau D
1670 - 1678	New generalized gradient approximation functionals Boese AD, Doltsinis NL, Handy NC, Sprik M
1679 - 1684	Molecular electronic structure using auxiliary field Monte Carlo, plane-waves, and pseudopotentials Baer R, Neuhauser D
1685 - 1700	Generalized Gaussian moment thermostatting: A new continuous dynamical approach to the canonical ensemble Liu Y, Tuckerman ME
1701 - 1706	Double-resonance spectroscopy of the high Rydberg states of HCO. IV. Vibrational autoionization dynamics as a function of bending amplitude Robinson JD, Foltynowicz RJ, Grant ER
1707 - 1712	Angle resolved photoelectron spectroscopy of O-2(a(1)Delta(g)) with synchrotron radiation Beeching L, De Fanis A, Dyke JM, Gamblin SD, Hooper N, Morris A, West JB
1713 - 1720	Threshold collision-induced dissociation of anionic copper clusters and copper cluster monocarbonyls Spasov VA, Lee TH, Ervin KM
1721 - 1732	Molecular beam study of the chemiluminescent reaction of manganese and ozone Green KM, Kampf RP, Parson JM
1733 - 1743	The excited electronic states and the ionization potential of the AlND3 complex Jakubek ZJ, Simard B
1744 - 1756	Cluster isolated chemical reaction (CICR) spectroscopy: Ba atoms and Ba(CH4)(n) complexes on large neon clusters Briant M, Gaveau MA, Mestdagh JM, Visticot JP
1757 - 1762	Dissociation of diatomic molecules by elliptically polarized chirped pulses Kim JH, Liu WK, McCourt FRW, Yuan JM
1763 - 1768	Detection of O(D-1) produced in the photodissociation of O-2. I. Identification of the (3)Sigma(-)(u) and (3)Pi(u) Rydberg states in 113-130 nm Lee PC, Nee JB
1769 - 1781	Interaction of the water dimer with pi-systems: A theoretical investigation of structures, energies, and vibrational frequencies Tarakeshwar P, Kim KS, Brutschy B
1782 - 1784	Raman spectrum and bonding of matrix isolated GeO2 Friesen M, Junker M, Schnockel H
1785 - 1796	State resolved reaction rates of the spin-forbidden predissociation of N2O: A quantum dynamics study of the rotational effect Nakamura H, Kato S
1797 - 1803	State-resolved dissociation dynamics of triplet acetaldehyde near the dissociation threshold to form CH3+HCO Huang CL, Chien V, Chen IC, Ni CK, Kung AH
1804 - 1808	Accurate potential energy and transition dipole moment curves for several electronic states of CO+ Okada K, Iwata S
1809 - 1813	Relativistic all-electron coupled-cluster calculations on Au-2 in the framework of the Douglas-Kroll transformation Hess BA, Kaldor U
1814 - 1822	Gas phase ion chemistry and ab initio theoretical study of phosphine. III. Reactions of PH2+ and PH3+ with PH3 Antoniotti P, Operti L, Rabezzana R, Tonachini G, Vaglio GA
1823 - 1834	Laser spectroscopy of jet-cooled ethyl radical: Infrared studies in the CH2 stretch manifold Davis S, Uy D, Nesbitt DJ
1835 - 1843	Photoacoustic measurements of the vibrational relaxation of the selectively excited ozone (nu(3)) molecule in pure ozone and its binary mixtures with O-2, N-2, and noble gases Zeninari V, Tikhomirov BA, Ponomarev YN, Courtois D
1844 - 1858	Fluorobenzene and p-difluorobenzene microsolvated by methanol: An infrared spectroscopic and ab initio theoretical investigation Buchhold K, Reimann B, Djafari S, Barth HD, Brutschy B, Tarakeshwar P, Kim KS
1859 - 1867	A quantum model Hamiltonian to treat reactions of the type X+YCZ(3)-> XY+CZ(3): Application to O(P-3)+CH4 -> OH+CH3 Palma J, Clary DC
1868 - 1875	Modeling of dynamic molecular solvent properties using local and cavity field approaches Macak P, Norman P, Luo Y, Agren H
1876 - 1886	Frequency dependence of ionic conductivity of electrolyte solutions Chandra A, Bagchi B
1887 - 1892	Flow, diffusion and crystallization of supercooled liquids: Revisited Ngai KL, Magill JH, Plazek DJ
1893 - 1906	Nonadditive three-body polarizabilities of molecules interacting at long range: Theory and numerical results for the inert gases, H-2, N-2, CO2, and CH4 Champagne MH, Li X, Hunt KLC
1907 - 1916	Pump/probe self heterodyned 2D spectroscopy of vibrational transitions of a small globular peptide Hamm P, Lim M, DeGrado WF, Hochstrasser RM
1917 - 1924	Effects of dephasing and vibronic structure on the first hyperpolarizability of strongly charge-transfer molecules Wang CH
1925 - 1936	Lateral interactions of CO in the (2x1)p2mg structure on Pd(110): Force constants between tilted CO molecules Kato H, Okuyama H, Ichihara S, Kawai M, Yoshinobu J
1937 - 1945	Reaction of gaseous oxygen with adsorbed carbon on Pt{110}(1x2) Walker AV, King DA
1946 - 1958	The bonding of CO to metal surfaces Fohlisch A, Nyberg M, Bennich P, Triguero L, Hasselstrom J, Karis O, Pettersson LGM, Nilsson A
1959 - 1965	Comparing the vibrational properties of low-energy modes of a molecular and an atomic adsorbate: CO and O on Pt(111) Engstrom U, Ryberg R
1966 - 1974	Kinetic and Monte Carlo models of thin film coarsening: Cross over from diffusion-coalescence to Ostwald growth modes Lo A, Skodje RT
1975 - 1983	Scattering of xenon from Ni(111): Collision-induced corrugation and energy transfer dynamics Ellison MD, Matthews CM, Zare RN
1984 - 1994	Poiseuille flow of Lennard-Jones fluids in narrow slit pores Travis KP, Gubbins KE
1995 - 2002	The Shpol'skii system perylene in n-hexane: A computational study of inclusion sites Wallenborn EU, Leontidis E, Palewska K, Suter UW, Wild UP
2003 - 2015	Distribution function approach to irreversible adsorption of interacting colloidal particles Faraudo J, Bafaluy J
2016 - 2020	Conformational transition behavior around glass transition temperature Liang TN, Yang Y, Guo DW, Yang XZ
2021 - 2029	Qualitative theory of rubber friction and wear Persson BNJ, Tosatti E
2030 - 2035	Collapse of flexible polyelectrolytes in multivalent salt solutions Solis FJ, de la Cruz MO
2036 - 2044	Figures of merit of push-pull molecules in photorefractive polymers Barzoukas M, Blanchard-Desce M
2045 - 2049	Do "grow and exchange" simulations of polymers obey detailed balance? Alexandrowicz Z
2050 - 2055	A novel iterative strategy for protein design Rossi A, Maritan A, Micheletti C