Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.18 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (51 articles)

7511 - 7515	A comparison between the CISD[TQ] wave function and other highly correlated methods : Molecular geometry and harmonic vibrational frequencies of MgH2 Tschumper GS, Schaefer HF
7516 - 7526	Consistent treatment of quantum-mechanical and classical degrees of freedom in mixed quantum-classical simulations Muller U, Stock G
7527 - 7533	Separability of spin-orbit and correlation energies for the sixth-row main group hydride ground states DiLabio GA, Christiansen PA
7534 - 7537	Efficient construction of self-avoiding walks for protein folding simulations on a torus Greenwood GW
7538 - 7548	A quenching method in mixed quantum-classical dynamics calculations on nonadiabatic problems Wang LC
7549 - 7554	Calculation of the nuclear Fukui function and new relations for nuclear softness and hardness kernels De Proft F, Liu SB, Geerlings P
7555 - 7559	Master equation analysis of deterministic chemical chaos Wang HL, Li QS
7560 - 7567	A nonorthogonal CI treatment of symmetry breaking in sigma formyloxyl radical Ayala PY, Schlegel HB
7568 - 7579	Evolution of dissipative processes via a statistical thermodynamic approach. I. Generalized Mori-Heisenberg-Langevin equations Madureira JR, Vasconcellos AR, Luzzi R, Casas-Vazquez J, Jou D
7580 - 7586	Evolution of dissipative processes via a statistical thermodynamic approach. II. Thermodynamic properties of a fluid of bosons Madureira JR, Vasconcellos AR, Luzzi R, Casas-Vazquez J, Jou D
7587 - 7594	Electron spin resonance g tensors from general Hartree-Fock calculations Jayatilaka D
7595 - 7606	Chemiluminescent pathways in reactions of phosphorus, antimony, and bismuth with ozone to form dioxides and monoxides Kampf RP, Parson JM
7607 - 7615	Theoretical study on the Rydberg states of NeH : Ab initio quantum defect and complex coordinate calculations Petsalakis ID, Theodorakopoulos G, Li Y, Hirsch G, Buenker RJ, Child MS
7616 - 7622	The millimeter wave spectrum of silver monoxide, AgO Steimle T, Tanimoto M, Namiki K, Saito S
7623 - 7630	Energy switching approach to potential surfaces. III. Three-valued function for the water molecule Varandas AJC, Voronin AI, Caridade PJSB
7631 - 7636	Photoelectron distributions from femtosecond pump/probe excitation with chirped probe pulses Meyer S, Meier C, Engel V
7637 - 7644	Vibronic coupling and Jahn-Teller effect in negatively charged benzene and [18]annulene Yoshizawa K, Kato T, Yamabe T
7645 - 7652	Photoelectron spectroscopy of SinH- (n = 2-4) anions Xu CS, Taylor TR, Burton GR, Neumark DM
7653 - 7661	Angle-resolved spin-orbit autoionization dynamics of Rydberg electron wave packets in Ar : A time-dependent MQDT approach Ramswell JA, Fielding HH
7662 - 7669	Efficient scalar spin relaxation in the rotating frame for matched radio-frequency fields Skrynnikov NR, Lienin SF, Bruschweiler R, Ernst RR
7670 - 7678	Temperature dependence and dynamical instability in the Hartley absorption system of ozone Johnson BR, Chang BY, Hsiao CW, Le L, Kinsey JL
7679 - 7683	Accurate modified configuration interaction single-centered calculations for H-2(+) Kempe JA, Goldman SP
7684 - 7694	Ab initio studies on the electronic excited states and photodissociation of O-3 anion Cui Q, Morokuma K
7695 - 7706	The spectrum of antimony hydride : An ab initio configuration interaction study employing a relativistic effective core potential Alekseyev AB, Liebermann HP, Lingott RM, Bludsky O, Buenker RJ
7707 - 7712	Predissociation of the Na-2 4 (3)Sigma(+)(g) state Li J, Liu Y, Chen H, Gao H, Xiang J, Chen D, Wu G, Li L, Field RW
7713 - 7738	Degenerate four-wave mixing spectroscopy as a probe of orientation and alignment in molecular systems Wasserman TAW, Vaccaro PH, Johnson BR
7739 - 7742	Calculating the Keldysh adiabaticity parameter for atomic, diatomic, and polyatomic molecules DeWitt MJ, Levis RJ
7743 - 7746	The thermodynamic properties of the gaseous dimer of CdI2 Kuncewicz-Kupczyk W, Kapala J, Roszak S, Miller M
7747 - 7757	Macroscopic theory for equilibrium properties of ionic-dipolar mixtures and application to an ionic model fluid Weiss VC, Schroer W
7758 - 7762	Raman intensity study of scaling properties of Na+, K+, Ag+, and Pb2+ doped NH4NO3 crystals during phase transitions Ma SG, Wu GZ, Wang HR
7763 - 7774	Exciton-migration and three-pulse femtosecond optical spectroscopies of photosynthetic antenna complexes Zhang WM, Meier T, Chernyak V, Mukamel S
7775 - 7782	Photodesorption of physisorbed molecules from a Ag(111) surface : The low photon energy threshold and the low translational temperature of desorbed molecules Howe PT, Dai HL
7783 - 7794	Simulations of the adhesion between molecularly bonded surfaces in direct force measurements Vijayendran R, Hammer D, Leckband D
7795 - 7806	Reactive removal of unstable mixed NO+CO adlayers : Chemical diffusion and reaction front propagation Tammaro M, Evans JW
7807 - 7815	The contribution of particle core and surface to strain, disorder and vibrations in thiolcapped CdTe nanocrystals Rockenberger J, Troger L, Rogach AL, Tischer M, Grundmann M, Eychmuller A, Weller H
7816 - 7820	The steric effect in a full dimensional quantum dynamics simulation for the dissociative adsorption of H-2 on Cu(111) Dai JQ, Light JC
7821 - 7824	Adsorption hysteresis and pore critical temperature in a single cylindrical pore Morishige K, Shikimi M
7825 - 7834	A high resolution helium atom scattering and far infrared study of the dynamics and the lateral potential energy surface of CO molecules chemisorbed on Cu(001) Graham AP, Hofmann F, Toennies JP, Williams GP, Hirschmugl CJ, Ellis J
7835 - 7841	Optical properties of surface and bulk F centers in MgO from ab initio cluster model calculations Illas F, Pacchioni G
7842 - 7848	Exciplex emission from bilayers of poly(vinyl carbazole) and pyridine based conjugated copolymers Gebler DD, Wang YZ, Fu DK, Swager M, Epstein AJ
7849 - 7854	State-specific desorption in condensed Si(CH3)(2)Cl-2 following resonant excitation at the Cl 2p edge Chen JM, Lu KT, Liu RG, Lay JW, Liu YC, Chuang TJ
7855 - 7869	Equation of state of a charged bilayer system : Measure of the entropy of the lamellar-lamellar transition in DDABr Dubois M, Zemb T, Fuller N, Rand RP, Parsegian VA
7870 - 7875	Study of a model polyelectrolyte solution with directional attractive forces between the macroions Kalyuzhnyi YV, Vlachy V
7876 - 7880	Scanning near-field optical microscopy of cholesteric liquid crystals Huser T, Lacoste T, Heinzelmann H, Kitzerow HS
7881 - 7886	Molecular mechanisms for disparate miscibilities of poly(propylene) and head-to-head poly(propylene) with other polyolefins Freed KF, Dudowicz J, Foreman KW
7887 - 7900	Simulation of the athermal coarsening of composites structured by a biaxial field Martin JE, Anderson RA, Tigges CP
7901 - 7908	Density functional crystal orbital study on the normal vibrations and phonon dispersion curves of all-trans polyethylene Hirata S, Iwata S
7909 - 7916	Flow properties of liquid crystal phases of the Gay-Berne fluid Sarman S
7917 - 7920	Kinetics of a homopolymer collapse : Beyond the Rouse-Zimm scaling Klushin LI
7921 - 7922	A polymer threading a membrane : Model system for a molecular pump Carl W
7923 - 7923	The Gibbs-Thomson effect and intergranular melting in ice emulsions : Interpreting the anomalous heat capacity and volume of supercooled water (vol 107, pg 10154, 1997) Johari GP