Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (49 articles)

8649 - 8659	Symplectic quaternion scheme for biophysical molecular dynamics Miller TF, Eleftheriou M, Pattnaik P, Ndirango A, Newns D, Martyna GJ
8660 - 8676	Nonadiabatic unimolecular reaction kinetic theory based on l th-order semi-Markov model Kawano A, Takahashi O, Saito K
8677 - 8690	Ensemble representable densities for atoms and molecules. III. Analysis of polarized neutron diffraction experiments when several Zeeman levels are populated Cassam-Chenai P
8691 - 8703	A general framework for discrete variable representation basis sets Littlejohn RG, Cargo M, Carrington T, Mitchell KA, Poirier B
8704 - 8712	Extension of quantized Hamilton dynamics to higher orders Pahl E, Prezhdo OV
8713 - 8722	A reaction path Hamiltonian defined on a Newton path Gonzalez J, Gimenez X, Bofill JM
8723 - 8730	Systematic corrections to the equivalent core model Wohlfarth MNR, Cederbaum LS
8731 - 8744	Variational principles for describing chemical reactions: Condensed reactivity indices Ayers PW, Morrison RC, Roy RK
8745 - 8749	Density-of-states Monte Carlo method for simulation of fluids Yan QL, Faller R, de Pablo JJ
8750 - 8760	Puddle-skimming: An efficient sampling of multidimensional configuration space Rahman JA, Tully JC
8761 - 8771	Assessment of time-dependent density-functional theory for the calculation of critical features in the absorption spectra of a series of aromatic donor-acceptor systems Jamorski C, Foresman JB, Thilgen C, Luthi HP
8772 - 8785	Low-order scaling local electron correlation methods. V. Connected triples beyond (T): Linear scaling local CCSDT-1b Schutz M
8786 - 8798	Translational dynamics of a cold water cluster in the presence of an external uniform electric field Vegiri A
8799 - 8802	Quantum control of molecular handedness in a randomly oriented racemic mixture using three polarization components of electric fields Hoki K, Gonzalez L, Fujimura Y
8803 - 8808	Vacuum ultraviolet laser pulsed field ionization photoelectron study of cis-2-butene Woo HK, Zhan J, Lau KC, Ng CY, Cheung YS
8809 - 8816	Conformation-selective photoionization of covalently-linked diaryl compounds: Excimer-mediated one-color two-photon ionization in seeded beams of 1,3-diphenylpropane Lee JK, Judge RH, Boo BH, Lim EC
8817 - 8826	Unraveling the highly overlapping (A)over-tilde(2)B(2)-(B)over-tilde (2)A(1) photoelectron bands of Cl2O: Nonadiabatic effects due to conical intersection Mahapatra S
8827 - 8837	Metal/Alq(3) interactions in organic light emitting devices: The different roles of Mg, Al, and Li atoms Zhang RQ, Lu WC, Lee CS, Hung LS, Lee ST
8838 - 8842	On the electronic structure of Cm(H2O)(n)(3+) (n=1,2,4,6) by all-electron Dirac-Hartree-Fock calculations Mochizuki Y, Tatewaki H
8843 - 8855	Visible emission from the vibrationally hot C2H radical following vacuum-ultraviolet photolysis of acetylene: Experiment and theory Boye S, Campos A, Douin S, Fellows C, Gauyacq D, Shafizadeh N, Halvick P, Boggio-Pasqua M
8856 - 8862	The significance of cluster lifetime in nucleation theory Barrett JC
8863 - 8875	Theoretical studies of cross sections and photoelectron angular distributions in the valence photoionization of molecular oxygen Lin P, Lucchese RR
8876 - 8880	Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water Gay SC, Smith EJ, Haymet ADJ
8881 - 8892	Observation of discrete energy states of weakly confined vibron in solid parahydrogen Katsuki H, Nakamura T, Momose T
8893 - 8903	Investigations of excitation energy transfer and intramolecular interactions in a nitrogen corded distrylbenzene dendrimer system Varnavski O, Samuel IDW, Palsson LO, Beavington R, Burn PL, Goodson T
8904 - 8911	Molecular dynamics study of the vibrational relaxation of OClO in bulk liquids Chorny I, Vieceli J, Benjamin I
8912 - 8929	Calculations of Xe line shapes in model nanochannels: Grand canonical Monte Carlo averaging of the Xe-129 nuclear magnetic resonance chemical shift tensor Jameson CJ
8930 - 8937	Molecular dynamics study of the photodissociation of OClO in bulk liquids Chorny I, Vieceli J, Benjamin I
8938 - 8947	Path integral simulations of quantum Lennard-Jones solids Chakravarty C
8948 - 8958	Phase transitions of one-component fluids adsorbed in random porous media: Monte Carlo simulations Brennan JK, Dong W
8959 - 8965	Optical dephasing in doped organic glasses over a wide (0.35-100 K) temperature range: Solid toluene doped with Zn-octaethylporphine Vainer YG, Kol'chenko MA, Naumov AV, Personov RI, Zilker SJ, Haarer D
8966 - 8972	Compartmentalized CNx nanotubes: Chemistry, morphology, and growth Trasobares S, Stephan O, Colliex C, Hsu WK, Kroto HW, Walton DRM
8973 - 8980	Density-functional theory studies of acetone and propanal hydrogenation on Pt(111) Alcala R, Greeley J, Mavrikakis M, Dumesic JA
8981 - 8987	Adsorption of ammonia on the gold(111) surface Bilic A, Reimers JR, Hush NS, Hafner J
8988 - 8993	Adsorption of alpha-pyridone on Cu(110) Frankel DJ, Chen Q, Richardson NV
8994 - 9004	Effects of long-range interactions in cyclic cluster calculations of metal oxides Janetzko F, Bredow T, Jug K
9005 - 9013	Classical dynamics of dissociative adsorption for a nonactivated system: The role of zero point energy Busnengo HF, Crespos C, Dong W, Rayez JC, Salin A
9014 - 9020	Ab initio simulations of oxygen atom insertion and substitutional doping of carbon nanotubes Mann DJ, Halls MD
9021 - 9027	Spiral waves and formation of low work function areas in catalytic NO reduction with hydrogen on a Rh(111) surface Schaak A, Imbihl R
9028 - 9035	Nematic textures in F-actin Das P, Roy J, Chakrabarti N, Basu S, Das U
9036 - 9050	A vanishing nucleation barrier for the n-alkane rotator-to-crystal transformation Herhold AB, King HE, Sirota EB
9051 - 9057	Colloid aggregation induced by oppositely charged polyions Harnau L, Hansen JP
9058 - 9067	On the Hamiltonian replica exchange method for efficient sampling of biomolecular systems: Application to protein structure prediction Fukunishi H, Watanabe O, Takada S
9068 - 9077	Kinetics of volume phase transition in poly(N-isopropylacrylamide) gels Okajima T, Harada I, Nishio K, Hirotsu S
9078 - 9088	Magnetoviscosity and orientational order parameters of dilute ferrofluids Ilg P, Kroger M, Hess S
9089 - 9099	Influence of spatially heterogeneous dynamics on physical aging of polystyrene Thurau CT, Ediger MD
9100 - 9106	How does the chain extension of poly (acrylic acid) scale in aqueous solution? A combined study with light scattering and computer simulation Reith D, Muller B, Muller-Plathe F, Wiegand S
9107 - 9119	A study of orientational ordering in a fluid of dipolar Gay-Berne molecules using density-functional theory Varga S, Szalai I, Liszi J, Jackson G
9120 - 9136	A hydrodynamic theory for solutions of nonhomogeneous nematic liquid crystalline polymers of different configurations Wang Q