Journal of Chemical Physics

Journal of Chemical Physics, Vol.110, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (58 articles)

3635 - 3638	Photodetachment photoelectron spectroscopy of doubly charged anions: S2O82- Ding CF, Wang XB, Wang LS
3639 - 3642	Unusual conical intersections in the Jahn-Teller effect: The electronically excited states of Li-3 Sadygov RG, Yarkony DR
3643 - 3646	What causes the vibrational lifetime plateau in supercritical fluids? Goodyear G, Tucker SC
3647 - 3652	On the Feynman path centroid density for Bose-Einstein and Fermi-Dirac statistics Roy PN, Voth GA
3653 - 3659	Improving the efficiency of the Herman-Kluk propagator by time integration Elran Y, Kay KG
3660 - 3671	Linear scaling second-order Moller-Plesset theory in the atomic orbital basis for large molecular systems Ayala PY, Scuseria GE
3672 - 3677	An ab initio linear electron correlation functional Rassolov VA
3678 - 3686	Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. Part I Rakowitz F, Marian CM, Seijo L, Wahlgren U
3687 - 3696	Anharmonic force fields from analytic CCSD(T) second derivatives: HOF and F2O Breidung J, Thiel W, Gauss J, Stanton JF
3697 - 3702	Adiabatic bias molecular dynamics: A method to navigate the conformational space of complex molecular systems Marchi M, Ballone P
3703 - 3707	A novel quantum Monte Carlo strategy: Surplus function approach Huang HX, Xie QJ, Cao ZX, Li ZL, Yue Z, Ming L
3708 - 3713	Intermolecular multiple-quantum coherence transfer echoes and multiple echoes in nuclear magnetic resonance Kimmich R, Ardelean I
3714 - 3729	Physical and mathematical content of coupled-cluster equations: Correspondence between coupled-cluster and configuration-interaction solutions Jankowski K, Kowalski K
3730 - 3735	Spectroscopic constants of gold and eka-gold (element 111) diatomic compounds: The importance of spin-orbit coupling Liu WJ, van Wullen C
3736 - 3747	Femtosecond photoelectron spectroscopy of the I-2(-) anion: A semiclassical molecular dynamics simulation method Batista VS, Zanni MT, Greenblatt BJ, Neumark DM, Miller WH
3748 - 3755	Femtosecond photoelectron spectroscopy of the I-2(-) anion: Characterization of the (A)over-tilde ＇ (2)Pi(g,1/2) excited state Zanni MT, Batista VS, Greenblatt BJ, Miller WH, Neumark DM
3756 - 3764	All the nonadiabatic (J=0) bound states of NO2 Salzgeber RF, Mandelshtam VA, Schlier C, Taylor HS
3765 - 3768	Inversion in the relative stabilities of HBO and BOH upon ionization Boldyrev AI, Simons J
3769 - 3772	Infrared spectrum of matrix isolated ClSiO and ab initio calculations Junker M, Schnockel H
3773 - 3780	Classical trajectory calculations of collision energy dependence of total and partial Penning ionization cross sections for He*(2(3)S)+N-2 -> He+N-2(+)+e(-) Ogawa T, Ohno K
3781 - 3784	Characterization of the lowest triplet states of linear form C2n+1 by anion photoelectron spectroscopy Kohno M, Suzuki S, Shiromaru H, Achiba Y
3785 - 3803	Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory Bukowski R, Sadlej J, Jeziorski B, Jankowski P, Szalewicz K
3804 - 3810	Ab initio theoretical study of dipole-bound anions of molecular complexes: Water pentamer anions Smith DMA, Smets J, Adamowicz L
3811 - 3822	Electron-impact total ionization cross sections of CF4, C2F6, and C3F8 Nishimura H, Huo WM, Ali MA, Kim YK
3823 - 3834	Quantum dynamics of chirped excitation of multimode systems Yuan JM, Liu WK, Hayashi MT, Lin SH
3835 - 3841	On the physical interpretation of torsion-rotation parameters in methanol and acetaldehyde: Comparison of global fit and ab initio results Xu LH, Lees RM, Hougen JT
3842 - 3855	Application of a general classical variational theory to the F+H-2 -> FH+1H reaction Rutenburg I, Koeppl GW
3856 - 3860	Collisions of noble gas dimers with monomers: A classical trajectory study Kalus R
3861 - 3869	The infrared spectrum of FeH2, studied in the gas phase by laser magnetic resonance Korsgen H, Urban W, Brown JM
3870 - 3875	Time evolution of pendular states created by the interaction of molecular polarizability with a pulsed nonresonant laser field Ortigoso J, Rodriguez M, Gupta M, Friedrich B
3876 - 3886	An accurate relativistic effective core potential for excited states of Ag atom: An application for studying the absorption spectra of Ag-n and Ag-n(+) clusters Bonacic-Koutecky V, Pittner J, Boiron M, Fantucci P
3887 - 3896	Structural transitions in small molecular clusters Proykova A, Radev R, Li FY, Berry RS
3897 - 3902	The PI4+ cation has an extremely large negative P-31 nuclear magnetic resonance chemical shift, due to spin-orbit coupling: A quantum-chemical prediction and its confirmation by solid-state nuclear magnetic resonance spectroscopy Kaupp M, Aubauer C, Engelhardt G, Klapotke TM, Malkina OL
3903 - 3912	Luminescence spectroscopy of matrix-isolated atomic cadmium Healy B, McCaffrey JG
3913 - 3918	Characteristics of impurity effects in isomorphous crystals and anisomorphous mixtures observed by N-14 nuclear quadrupole resonance Jung JK, Seo YM, Choh SH
3919 - 3925	Why is there no low-temperature phase transition in NaOH? Bessonette PWR, White MA
3926 - 3937	Fluorescence quenching by reversible excitation transfer: Application of a hierarchy approach to a pseudo first-order model Naumann W
3938 - 3945	Thermodynamic analysis of the solvent effect on tautomerization of acetylacetone: An ab initio approach Ishida T, Hirata F, Kato S
3946 - 3950	Long time behavior of reversible diffusion-influenced reaction perturbed by photolysis: Brownian dynamics simulation Kim H, Yang M, Shin KJ
3951 - 3954	Contraction of the model for the Bray-Liebhafsky oscillatory reaction by eliminating intermediate I2O Cupic Z, Kolar-Anic L
3955 - 3960	Nucleation in superheated gas-saturated solutions. I. Boiling-up kinetics Baidakov VG
3961 - 3969	New closure for the Ornstein-Zernike equation Martynov GA, Sarkisov GN, Vompe AG
3970 - 3980	Length and occupancy dependence of the tracer exchange in single-file systems Rodenbeck C, Karger J
3981 - 3985	Molecular dynamics study of Sn-1 and Sn-2 chain conformations in dipalmitoylphosphatidylcholine membranes Smondyrev AM, Berkowitz ML
3986 - 3994	Effect of the cluster size in modeling the H-2 desorption and dissociative adsorption on Si(001) Penev E, Kratzer P, Scheffler M
3995 - 3999	Pressure dependence of spin-orbit levels of Co2+ in KZnF3 Freire PTC, Lemos V, Pilla O, Vieira ND
4000 - 4008	The influence of the random sequential adsorption of binary mixtures on the kinetics of hydrocarbon hydrogenation reactions McLeod AS, Gladden LF
4009 - 4012	Intriguing kinetics for chlorine etching of the Si(100)-(2x1) surface Dohnalek Z, Nishino H, Kamoshida N, Yates JT
4013 - 4019	Atomic nitrogen on steps: A fast x-ray photoelectron spectroscopy study of the NO uptake on Rh(533), Rh(311), and Rh(111) Esch F, Baraldi A, Comelli C, Lizzit S, Kiskinova M, Cobden PD, Nieuwenhuys BE
4020 - 4027	Monte Carlo simulations of nitrogen and hydrogen physisorption at high pressures and room temperature. Comparison with experiments Darkrim F, Vermesse J, Malbrunot P, Levesque D
4028 - 4034	Clustering and continuum percolation of hard spheres near a hard wall: Monte Carlo simulation and connectedness theory Pugnaloni LA, Vericat F
4035 - 4046	Determination of orientational distributions from H-2 NMR data by a regularization method Winterhalter J, Maier D, Grabowski DA, Honerkamp J, Muller S, Schmidt C
4047 - 4059	Fluid transport properties by equilibrium molecular dynamics. I. Methodology at extreme fluid states Dysthe DK, Fuchs AH, Rousseau B
4060 - 4067	Fluid transport properties by equilibrium molecular dynamics. II. Multicomponent systems Dysthe DK, Fuchs AH, Rousseau B, Durandeau M
4068 - 4078	Conjugated polymer aggregates in solution: Control of interchain interactions Nguyen TQ, Doan V, Schwartz BJ
4079 - 4089	Spinodal decomposition of symmetric diblock copolymer homopolymer blends at the Lifshitz point Kielhorn L, Muthukumar M
4090 - 4100	Analysis on conformational stability of C-peptide of ribonuclease A in water using the reference interaction site model theory and Monte Carlo simulated annealing Kinoshita M, Okamoto Y, Hirata F
4101 - 4108	Two-dimensional spectroscopy of electric birefringence relaxation in frequency domain: Measurement method for second-order nonlinear after-effect function Hosokawa K, Shimomura T, Frusawa H, Kimura Y, Ito K, Hayakawa R