Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.108, No.41 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (49 articles)

8553 - 8570	Biography of Gert D. Billing Baer M, Coletti C, Schatz GC, Toxvaerd S, Wang LC
8571 - 8579	Role of surface relaxation in the Eley-Rideal formation of H-2 on a graphite surface Morisset S, Aguillon F, Sizun M, Sidis V
8580 - 8589	Constrained adiabatic trajectory method Jolicard G, Viennot D, Killingbeck JP
8590 - 8598	Vector-algebra approach to obtain molecular fields from conical intersections: Numerical applications to H+H-2 and Na+H-2 Vibok K, Vertesi T, Bene E, Halasz GJ, Baer M
8599 - 8604	Resonance features in the isotopic branching ratios for the F+HD reaction Kornweitz H, Persky A
8605 - 8614	Structures of platinum clusters: Planar or spherical? Xiao L, Wang LC
8615 - 8623	MRCI calculations of the lowest potential energy surface for CH3OH and direct ab initio dynamics simulations of the O(D-1)+CH4 reaction Yu HG, Muckerman JT
8624 - 8632	The n ->pi* electronic transition in microsolvated formaldehyde. A coupled cluster and combined coupled cluster/molecular mechanics study Kongsted J, Osted A, Pedersen TB, Mikkelsen KV, Christiansen O
8633 - 8640	Attachment and solvation of the H- dopant: Structures of NenH- and ArnH- clusters from energy-optimizing calculations Sebastianelli F, Gianturco FA
8641 - 8645	Droplet formation in a ternary-fluid mixture: Spontaneous emulsion and micelle formation Toxvaerd S
8646 - 8658	Linear response properties of liquid water calculated using CC2 and CCSD within different molecular mechanics methods Osted A, Kongsted J, Mikkelsen KV, Christiansen O
8659 - 8671	A theoretical study of the reaction between CH3S(OH)CH3 and O-2 Gross A, Barnes I, Sorensen RM, Kongsted J, Mikkelsen KV
8672 - 8681	Theoretical reaction dynamics study of the effect of vibrational excitation of CO on the OH+CO -> H+CO2 reaction Valero R, Kroes GJ
8682 - 8690	Structure and energetics of LiBH4 and its surfaces: A first-principles study Ge QF
8691 - 8702	Correlation function quantum Monte Carlo study of the excited vibrational states of H5O2+ Cho HM, Singer SJ
8703 - 8712	Axially nonadiabatic channel treatment of low-energy capture in ion-rotating diatom collisions Dashevskaya EI, Litvin I, Nikitin EE, Oref I, Troe J
8713 - 8720	The JWKB method in central-field problems. Planar radial wave equation and resolution of Kramers' dilemma Dahl JP, Schleich WP
8721 - 8730	Dynamics study of the O+HO2 reaction using two DMBE potential energy surfaces: The role of vibrational excitation Silveira DM, Caridade PJSB, Varandas AJC
8731 - 8742	Long-range interaction in some simple open-shell systems, including rare-gas sulfides: Features of post-adiabatic potentials and couplings Sevryuk MB, Rusin LY, Cavalli S, Aquilanti V
8743 - 8751	Determination of the Van Hove spectrum of liquid He(4): An application of the Feymnan-Kleinert linearized path integral methodology Poulsen JA, Nyman G, Rossky PJ
8752 - 8758	A full dimensional quasiclassical trajectory study of Cl+CH4 rate coefficients Garcia E, Sanchez C, Saracibar A, Lagana A
8759 - 8764	Quantum scattering calculations of the H+O-2 -> O+OH reaction Sultanov RA, Balakrishnan N
8765 - 8771	Mixed quantum-classical scattering dynamics of CF3Br Markovic N, Back A
8772 - 8781	Importance of intersystem crossing in the S(P-3,D-1)+H-2 -> SH+H reaction Maiti B, Schatz GC, Lendvay G
8782 - 8794	Investigation of ergodic character of quantized vibrational motion Back A, Nordholm S, Nyman G
8795 - 8800	The static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes Jensen L, Astrand PO, Mikkelsen KV
8801 - 8809	Effects of alkyl-group substitution on the proton-transfer barriers in ammonium and hydroxylammonium nitrate salts Alavi S, Thompson DL
8810 - 8818	Adsorption site and surface temperature effects in CO formation on Pt(111): A new semiclassical study Cacciatore M, Christoffersen E, Rutigliano M
8819 - 8826	Multiple configuration quantum/classical studies of the photodissociation dynamics of Ar-H2O Feng C, McCoy AB
8827 - 8839	Full quantum dynamics of atom-diatom chemical reactions in hyperspherical elliptic coordinates Kamisaka H, Tolstikhin OI, Nakamura H
8840 - 8847	Suppressing the spreading of continuum wave packets via chirped laser pulses Manescu C, Krause JL, Moller KB, Henriksen NE
8848 - 8851	Generalized Sturmian solutions for many-particle Schrodinger equations Avery J, Avery J
8852 - 8859	Control of bond excitation and dissociation in HCN using laser pulses Brezina R, Liu WK
8860 - 8865	Properties of the Baranger thawed Gaussian propagator Child MS, Sherratt P, Sturdy YK
8866 - 8877	Statistical mechanics of mean field Ehrenfest quantum/classical molecular dynamics: The damped harmonic oscillator Kab G
8878 - 8893	Renormalized coupled-cluster calculations of reactive potential energy surfaces: The BeFH system McGuire MJ, Piecuch P, Kowalski K, Kucharski SA, Musial M
8894 - 8904	Hyperspherical harmonics for tetraatomic systems. 2. The weak interaction region Kuppermann A
8905 - 8913	Analysis of the ultraviolet absorption cross sections of six isotopically substituted nitrous oxide species using 3D wave packet propagation Nanbu S, Johnson MS
8914 - 8929	Sulfuric acid and sulfuric acid hydrates in the gas phase: A DFT investigation Al Natsheh A, Nadykto AB, Mikkelsen KV, Yu FQ, Ruuskanen J
8930 - 8934	On the coupling of vibrational relaxation with the dissociation-recombination kinetics: From dynamics to aerospace applications Capitelli M, Colonna G, Esposito F
8935 - 8940	Application of the END theory to the H+D-2 -> HD+D reaction Cabrera-Trujillo R, Ohrn Y, Deumens E, Sabin JR
8941 - 8948	Electronic interaction anisotropy between atoms in arbitrary angular momentum states Krems RV, Groenenboom GC, Dalgarno A
8949 - 8953	Systematics of collision-induced light emission from hot matter Gross A, Kjellberg M, Levine RD
8954 - 8960	Approaches to wave packet imaging using femtosecond ionization spectroscopy Grafe S, Scheidel D, Engel V, Henriksen NE, Moller KB
8961 - 8965	Sign change of hyperpolarizabilities of solvated water, revised: Effects of equilibrium and nonequilibrium solvation Sylvester-Hvid KO, Mikkelsen KV, Norman P, Jonsson D, Agren H
8966 - 8972	Kinetic isotope effects in the reactions of D atoms with CH4, C2H6, and CH3OH: Quantum dynamics calculations Kerkeni B, Clary DC
8973 - 8979	The effect of the atomic dynamics in a crystalline catalyst on the rate constant for a catalyzed chemical reaction Hansen FY
8980 - 8986	A global ab initio potential energy surface for formaldehyde Zhang XB, Zou SL, Harding LB, Bowman JM
8987 - 9003	Scattering and bound states: A Lorentzian function-based spectral filter approach Vijay A, Kouri DJ, Hoffman DK