Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.5 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (60 articles)

1757 - 1760	Catalytic oxidation of carbon monoxide by platinum cluster anions Shi Y, Ervin KM
1761 - 1764	Infrared spectrum of the molecular dication (doubly positively charged molecule), (DCl2+)-Cl-35 Abusen R, Bennett FR, McNab IR, Sharp DN, Shiell RC, Woodward GA
1765 - 1768	Predissociation of the Rydberg states of CO: State specific predissociation to the triplet channel Okazaki A, Ebata T, Sutani T, Mikami N
1769 - 1772	Origin of polarization in polar nanocrystals Huong NQ, Birman JL
1773 - 1779	Intensities of infrared transitions in the two-dimensional algebraic model Oss S, Temsamani MA
1780 - 1793	Inversion of absorption spectral data for relaxation matrix determination. II. Application to Q-branch line mixing in HCN, C2H2, and N2O Boyd R, Ho TS, Rabitz H
1794 - 1803	Vibrational dephasing mechanisms in liquids and glasses: Vibrational echo experiments Rector KD, Fayer MD
1804 - 1810	Study of the low-lying states of NiO- and NIO using anion photoelectron spectroscopy Moravec VD, Jarrold CC
1811 - 1820	High-resolution infrared spectrum and energy levels of the weakly bound complex, CO-paraH(2) McKellar ARW
1821 - 1829	Inhomogeneous broadening of electronic spectra in organic model systems Geissinger P, Kohler BE, Kulikov SG, Terpougov V
1830 - 1835	Pressure-induced dynamics in solid n-alkanes as probed by optical spectroscopy Friebel J, Friedrich J, Suisalu A, Kikas J, Kuznetsov A, Laisaar A, Leiger K
1836 - 1850	High-resolution spectroscopy of 4-fluorostyrene-rare gas van der Waals complexes: Results and comparison with theoretical calculations Lakin NM, Pietraperzia G, Becucci M, Castellucci E, Coreno M, Giardini-Guidoni A, van der Avoird A
1851 - 1858	Spectral random walks and line broadening of impurity molecules in an Ising spin glass environment Tanimura Y, Takano H, Klafter J
1859 - 1873	Momentum distributions and molecular property information for trans 1,3 butadiene: An electron momentum spectroscopy and density functional theory investigation Brunger MJ, Winkler DA, Michalewicz MT, Weigold E
1874 - 1880	The phosphorescence excitation spectrum of biacetyl: An analysis of the acetyl and methyl torsional mode structure Moule DC, Sharp AC, Judge RH, Liu H, Lim EC
1881 - 1885	Phase-modulated nutation nuclear quadrupole resonance spectroscopy Chavez FV, Casanova F, Robert H, Pusiol D
1886 - 1892	Double-resonance spectroscopy of the high Rydberg states of HCO. II. Mode specificity in the dynamics of vibrational autoionization via CO stretch versus bend Mayer EE, Hedderich HG, Grant ER
1893 - 1903	Quantum localization and dynamical tunneling of quasiseparatrix wave functions for molecular vibration Hashimoto N, Takatsuka K
1904 - 1909	Electron-ion coincidence measurements: The neutral dissociation plus excitation cross section for N-2 Mi L, Bonham RA
1910 - 1914	Electron-ion coincidence measurements: The neutral dissociation cross section for CF4 Mi L, Bonham RA
1915 - 1923	The role of a molecular phase in two-pathway excitation schemes Seideman T
1924 - 1931	Vibrational relaxation in infrared excited SF6.Ar-n(+) cluster ions Atrill S, Stace AJ
1932 - 1939	The hindering of the inversion motion in the van der Waals aniline-Ar-n clusters: An adiabatic molecular dynamics simulation for n=1-3 Parneix P, Brechignac P
1940 - 1943	Organic gas/surface interaction: Fraction (gamma value) of the kinetic energy used for ionization Kishi H, Fujii T
1944 - 1952	A laser photolysis time-resolved Fourier transform infrared emission study of OH(X (2)Pi, v) produced in the reaction of alkyl radicals with O(P-3) Lindner J, Loomis RA, Klaassen JJ, Leone SR
1953 - 1963	Rapidly convergent iteration methods for quantum-optimal control of population Zhu WS, Botina J, Rabitz H
1964 - 1977	Transition path sampling and the calculation of rate constants Dellago C, Bolhuis PG, Csajka FS, Chandler D
1978 - 1988	Dissociative recombination and excitation of N-2(+): Cross sections and product branching ratios Peterson JR, Le Padellec A, Danared H, Dunn GH, Larsson M, Larson A, Peverall R, Stromholm C, Rosen S, af Ugglas M, van der Zande WJ
1989 - 1996	A hybrid classical/quantum approach to cluster fragmentation dynamics: Application to the vibrational predissociation of He2Cl2 Hernandez MI, Garcia-Vela A, Garcia-Rizo C, Halberstadt N, Villarreal P, Delgado-Barrio G
1997 - 2004	Molecular beam study of gateway-coupling N-2(C-3 Pi(u)/a '(1)Sigma(-)(u)) and chemical quenching of the metastable N-2(a ') state Ottinger C, Shen G
2005 - 2014	Ab initio model potential embedded-cluster study of the ground and lowest excited states of Cr3+ defects in the elpasolites Cs2NaYCl6 and Cs2NaYBr6 Al-Abdalla A, Barandiaran Z, Seijo L, Lindh R
2015 - 2023	A quantum molecular dynamics study of the properties of NO+(H2O)(n) clusters Ye L, Cheng HP
2024 - 2027	Theoretical study on potential-energy surface of C2N2 Ding YH, Huang XR, Li ZS, Sun CC
2028 - 2040	The spectrum of arsenic hydride: An ab initio configuration interaction study employing a relativistic effective core potential Alekseyev AB, Liebermann HP, Hirsch G, Buenker RJ
2041 - 2043	Calculation of contributions of one- and two-electron spin-orbit coupling terms to the parity-violating energy shifts for amino acids and helical alkanes Kiyonaga H, Morihashi K, Kikuchi O
2044 - 2055	Ab initio calculations of radiationless transitions between excited and ground singlet electronic states of ethylene Hayashi M, Mebel AM, Liang KK, Lin SH
2056 - 2066	Electron correlation and relativistic contributions to dipole moments of heavy oxides and sulfides: SnO, PbO, SnS, and PbS Kello V, Sadlej AJ, Faegri K
2067 - 2072	Phase diagrams of polymer dispersed liquid crystals Matsuyama A, Kato T
2073 - 2083	An empirical valence bond model for proton transfer in water Sagnella DE, Tuckerman ME
2084 - 2087	High pressure studies of the rhodium-hydrogen system in diamond anvil cell Tkacz M
2088 - 2103	Stochastic potential for a periodically forced nonlinear oscillator Vance W, Ross J
2104 - 2110	Impurity solvation in a liquid Tehver R, Cole MW, Maritan A, Koplik J, Banavar JR
2111 - 2116	Transferable pair potentials for the description of liquid alkali metals Boulahbak M, Jakse N, Wax JF, Bretonnet JL
2117 - 2133	Computer simulation studies of liquid crystals: A new Corner potential for cylindrically symmetric particles Zewdie H
2134 - 2142	The effect of chain stiffness on the phase behaviour of isolated homopolymers Doye JPK, Sear RP, Frenkel D
2143 - 2151	Nature of the power-dependent ultrafast relaxation process of photoexcited charge carriers in II-VI semiconductor quantum dots: Effects of particle size, surface, and electronic structure Roberti TW, Cherepy NJ, Zhang JZ
2152 - 2161	Static and dynamic polarizability calculations for the polyyne series (C2nH2) with extrapolation to the infinite chain Dalskov EK, Oddershede J, Bishop DM
2162 - 2169	Modeling the concentration dependence of diffusion in zeolites. III. Testing mean field theory for benzene in Na-Y with simulation Saravanan C, Jousse F, Auerbach SM
2170 - 2172	Molecular dynamics simulation of the diffusion of n-butane and i-butane in silicalite Bouyermaouen A, Bellemans A
2173 - 2177	Chain dynamics in entangled polymers: Power laws of the proton and deuteron spin-lattice relaxation dispersions Kimmich R, Fatkullin N, Seitter RO, Gille K
2178 - 2188	Molecular dynamics simulation of gas mixtures in porous media. I. Adsorption Yi XH, Ghassemzadeh J, Shing KS, Sahimi M
2189 - 2196	A model of relaxation in supercooled polymer melts Loring RF
2197 - 2207	Surface and bulk diffusion of HDO on ultrathin single-crystal ice multilayers on Ru(001) Livingston FE, Whipple GC, George SM
2208 - 2218	A study of genetic algorithm approaches to global geometry optimization of aromatic hydrocarbon microclusters White RP, Niesse JA, Mayne HR
2219 - 2227	A model of a local dielectric constant in proteins Voges D, Karshikoff A
2228 - 2231	Induced orientational order in liquid layers ten Bosch A
2232 - 2244	Dynamics of self-assembled surfactant systems von Gottberg FK, Smith KA, Hatton TA
2245 - 2250	Local interactions and protein folding: A model study on the square and triangular lattices Irback A, Sandelin E
2251 - 2260	Electron impact overtone excitation via the (2)Sigma(u) resonance in N-2 films physisorbed on Ag(110) at 15 K Bartolucci F, Franchy R, Silva JAMC, Moutinho AMC, Teillet-Billy D, Gauyacq JP
2261 - 2261	Electronic absorption spectra of carbon chain anions (n=4-7) in neon matrices (vol 107, pg 4468, 1997) Freivogel P, Grutter M, Forney D, Maier JP