Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.16 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (60 articles)

6461 - 6464	A summation procedure that improves the accuracy of the fourth-order Moller-Plesset perturbation theory Goodson DZ
6465 - 6468	An experimental and computational study of the methyl formate radical ultraviolet spectrum Hansen JC, Li YM, Francisco JS, Szente JJ, Maricq MM
6469 - 6501	Quantum solvation and molecular rotations in superfluid helium clusters Kwon Y, Huang P, Patel MV, Blume D, Whaley KB
6502 - 6508	Lattice and spin polarons in two dimensions Zhao Y, Chen GH, Yu L
6509 - 6527	Excited states theory for optimized orbitals and valence optimized orbitals coupled-cluster doubles models Krylov AI, Sherrill CD, Head-Gordon M
6528 - 6535	Reactive scattering on multiple electronic surfaces: Collinear A+BC -> AB+C reaction Shin C, Shin S
6536 - 6541	A test of the dependence of an optimal control field on the number of molecular degrees of freedom: HCN isomerization Shah SP, Rice SA
6542 - 6556	Three novel high-resolution nonlinear methods for fast signal processing Belkic D, Dando PA, Main J, Taylor HS
6557 - 6565	Quantized Hamilton dynamics Prezhdo OV, Pereverzev YV
6566 - 6572	Geometry optimization of large biomolecules in redundant internal coordinates Paizs B, Baker J, Suhai S, Pulay P
6573 - 6578	A method whereby Onsager coefficients may be evaluated Elliott JAW, Elmoazzen HY, McGann LE
6579 - 6584	Reactions of iron clusters with oxygen and ethylene: Observation of particularly stable species Huisken F, Kohn B, Alexandrescu R, Morjan I
6585 - 6591	Collision-induced bound state motion in I-2. A classical molecular dynamics study Ermoshin VA, Engel V, Meier C
6592 - 6597	Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities Schwenke DW, Partridge H
6598 - 6607	Resonance-state selective photodissociation of OCS (2(1)Sigma(+)): Rotational and vibrational distributions of CO fragments Itakura R, Hishikawa A, Yamanouchi K
6608 - 6612	Probing the lowest coordination number of dianionic platinum-cyanide complexes in the gas phase: Dynamics of the charge dissociation process Bojesen G, Hvelplund P, Jorgensen TJD, Nielsen SB
6613 - 6617	Structure and stability of Na6Pb clusters Han YK, Hirao K
6618 - 6623	New millimeter wave and infrared spectra of the CO dimer: Assignment and precise location of quantum states Walker KA, Xia CH, McKellar ARW
6624 - 6628	The Li2F (1)Sigma(+)(g) "shelf" state: Accurate potential energy curve based on the inverted perturbation approach Pashov A, Jastrzebski W, Kowalczyk P
6629 - 6633	Femtosecond polarization spectroscopy in molecular gas mixtures: Macroscopic interference and concentration measurements Hertz E, Lavorel B, Faucher O, Chaux R
6634 - 6639	Angular distribution of ionic fragments in the dissociation of SO22+ Masuoka T, Kobayashi A
6640 - 6651	A statistical approach for the study of singlet-triplet interactions in small polyatomic molecules Altunata S, Field RW
6652 - 6659	Aggregation of water molecules: Atmospheric implications Evans GT, Vaida V
6660 - 6672	Photodissociation and recombination of F-2 molecule in Ar-54 cluster: Nonadiabatic molecular dynamics simulations Niv MY, Bargheer M, Gerber RB
6673 - 6676	Direct observation of the steric effect in Penning ionization reaction of Ar-*+CHCl3 -> CHCl2++Cl+e(-)+Ar Yamato M, Okada S, Wu VW, Ohoyama H, Kasai T
6677 - 6686	Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N-2 Larsen H, Olsen J, Jorgensen P, Christiansen O
6687 - 6701	Water pair potential of near spectroscopic accuracy. I. Analysis of potential surface and virial coefficients Mas EM, Bukowski R, Szalewicz K, Groenenboom GC, Wormer PES, van der Avoird A
6702 - 6715	Water pair potential of near spectroscopic accuracy. II. Vibration-rotation-tunneling levels of the water dimer Groenenboom GC, Wormer PES, van der Avoird A, Mas EM, Bukowski R, Szalewicz K
6716 - 6723	Theoretical evidence for a bound doubly-excited B-1(2) (C1s, n ->pi*(2)) state in H2CO below the C1s ionization threshold Trofimov AB, Gromov EV, Moskovskaya TE, Schirmer J
6724 - 6735	Applications of a variational coupled-electron pair approach to the calculation of intermolecular interaction in the framework of the VB theory: Study of the van der Waals complex He-CH4 Specchio R, Famulari A, Martinazzo R, Raimondi M
6736 - 6747	A theoretical approach to the O(D-1)+H2O(X (1)A(1)) reaction: Ab initio potential energy surface and quasiclassical trajectory dynamics study Sayos R, Oliva C, Gonzalez M
6748 - 6759	Theoretical study of the dynamics, stereodynamics, and microscopic mechanism of the O(D-1)+CH4(X (1)A(1))-> OH(X (2)Pi)+CH3(X (2)A(2)'') reaction Gonzalez M, Hernando J, Puyuelo MP, Sayos R
6760 - 6773	Far-ultraviolet resonance Raman spectroscopy of nitrate ion in solution Waterland MR, Kelley AM
6774 - 6781	Homogeneous nucleation rates of n-pentanol in nitrogen measured in a piston-expansion tube Grassmann A, Peters F
6782 - 6787	Induced-dipole contributions to the conductivity and dielectric response of molten ZnCl2 Gray-Weale A, Madden PA, Wilson M
6788 - 6794	Reorientational disorder of anions in the hydrogen sulfides of sodium and potassium (NaDS and KDS) investigated by neutron diffraction between T=4 K and T=470 K Haarmann F, Jacobs H, Kockelmann W
6795 - 6802	Solid effect in the electron spin dressed state: A new approach for dynamic nuclear polarization Weis V, Bennati M, Rosay M, Griffin RG
6803 - 6814	Infrared spectra of cesium chloride aqueous solutions Max JJ, Chapados C
6815 - 6821	Structural and thermodynamic description of supercritical argon with ab initio potentials Bomont JM, Bretonnet JL, Pfleiderer T, Bertagnolli H
6822 - 6830	Thermodynamics of heterogeneous multicomponent condensation on mixed nuclei Djikaev YS, Donaldson DJ
6831 - 6850	Microscopic model of carbon monoxide binding to myoglobin McMahon BH, Stojkovic BP, Hay PJ, Martin RL, Garcia AE
6851 - 6863	Simulated structure, dynamics, and vibrational spectra of liquid benzene Chelli R, Cardini G, Procacci P, Righini R, Califano S, Albrecht A
6864 - 6874	Potential-dependence of CO adlayer structures on Pt(111) electrodes in acid solution: Evidence for a site selective charge transfer Akemann W, Friedrich KA, Stimming U
6875 - 6881	Transport diffusion of argon in AlPO4-5 from equilibrium molecular dynamics simulations Hoogenboom JP, Tepper HL, van der Vegt NFA, Briels WJ
6882 - 6887	Dynamics of ammonia decomposition on Ru(0001) Mortensen H, Diekhoner L, Baurichter A, Jensen E, Luntz AC
6888 - 6900	Thermal conductivity of diamond and related materials from molecular dynamics simulations Che JW, Cagin T, Deng WQ, Goddard WA
6901 - 6905	A simple model for associative desorption and dissociative chemisorption Luntz AC
6906 - 6915	Diffusion and reaction in rectangular arrays of spheroids Lu SY
6916 - 6925	Temperature dependence of atomic hydrogen-induced surface processes on Ge(100): Thermal desorption, abstraction, and collision-induced desorption Shimokawa S, Namiki A, Gamo MN, Ando T
6926 - 6932	Energetics of hydrogen chemisorbed on Cu(110): A first principles calculations study Bae CS, Freeman DL, Doll JD, Kresse G, Hafner J
6933 - 6942	Molecular simulation study of water-methanol mixtures in activated carbon pores Shevade AV, Jiang SY, Gubbins KE
6943 - 6949	A four-site model for elongated liquid crystal molecules Lee JC
6950 - 6956	The writhe distribution in DNA plasmids as derived from the free energy of supercoiling Tobias I
6957 - 6965	The temperature and polymerization effects on the relaxation time and conductivity, and the evolution of the localized motions Tombari E, Salvetti G, Johari GP
6966 - 6973	The coil-globule transition for a polymer chain confined in a tube: A Monte Carlo simulation Sotta P, Lesne A, Victor JM
6974 - 6983	An extended Maxwell-Wagner theory for the electric birefringence of charged colloids Saville DA, Bellini T, Degiorgio V, Mantegazza F
6984 - 6991	Electrokinetic properties of colloids of variable charge. III. Observation of a Maxwell-Wagner relaxation mechanism by high-frequency electric-birefringence spectroscopy Mantegazza F, Bellini T, Buscaglia M, Degiorgio V, Saville DA
6992 - 7005	Dynamical monte carlo study of equilibrium polymers. II. The role of rings Wittmer JP, van der Schoot P, Milchev A, Barrat JL
7006 - 7012	Phase behavior of polymer containing colloidal dispersions: The integral equation theory Shusharina NP, Khalatur PG, Khokhlov AR
7013 - 7021	A density-functional approach to nucleation in micellar solutions Talanquer V, Oxtoby DW