Journal of Chemical Physics

Journal of Chemical Physics, Vol.115, No.10 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (62 articles)

4411 - 4423	A two-component variant of the Douglas-Kroll relativistic linear combination of Gaussian-type orbitals density-functional method: Spin-orbit effects in atoms and diatomics Mayer M, Kruger S, Rosch N
4424 - 4437	Nonlinear response functions for the three-dimensional spectroscopies Cho MH
4438 - 4443	Sum rules for exchange and correlation potentials Ayers PW, Levy M
4444 - 4449	Nonlinear dielectric and magnetic relaxation after a sudden change of applied field Felderhof BU, Jones RB
4450 - 4456	Quantum dynamics for a system coupled to slow baths: On-the-fly filtered propagator method Sim E
4457 - 4462	Rapid calculation of the Coulomb component of the stress tensor for three-dimensional systems with two-dimensional periodicity Kawata M, Mikami M, Nagashima U
4463 - 4472	Accurate relativistic Gaussian basis sets for H through Lr determined by atomic self-consistent field calculations with the third-order Douglas-Kroll approximation Tsuchiya T, Abe M, Nakajima T, Hirao K
4473 - 4483	Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties Luis JM, Duran M, Kirtman B
4484 - 4495	Path integral formulation of centroid dynamics for systems obeying Bose-Einstein statistics Blinov NV, Roy PN, Voth GA
4496 - 4501	Structure and thermodynamic stability of the OsC and OsC2 molecules by theoretical calculations and by Knudsen cell mass spectrometry Meloni G, Thomson LM, Gingerich KA
4502 - 4507	Microwave spectrum of the CH3CCS radical in the E-2(3/2) electronic ground state Habara H, Yamamoto S
4508 - 4514	Vibrational relaxation of Ne, Ar, Kr-HF (v=1) binary complexes in helium nanodroplets Nauta K, Miller RE
4515 - 4526	The reactions CHnD4-n+OH -> P and CH4+OD -> CH3+HOD as a test of current direct dynamics multicoefficient methods to determine variational transition state rate constants. II Masgrau L, Gonzalez-Lafont A, Lluch JM
4527 - 4533	Cold and ultracold ion-neutral inelastic collisions: Spin-orbit relaxation in He+Ne+ Siska PE
4534 - 4545	Forward scattering in the H+D-2 -> HD+D reaction: Comparison between experiment and theoretical predictions Fernandez-Alonso F, Bean BD, Zare RN, Aoiz FJ, Banares L, Castillo JF
4546 - 4548	An exact quantum Monte Carlo calculation of the helium-helium intermolecular potential. II Anderson JB
4549 - 4557	Application of higher order decouplings of the dilated electron propagator to (2)Pi CO-, (2)Pi(g) N-2(-) and (2)Pi(g) C2H2-shape resonances Mahalakshmi S, Venkatnathan A, Mishra MK
4558 - 4564	Ab initio study of the lower few states of FeH: Application of the multireference coupled pair approximation Tanaka K, Sekiya M, Yoshimine M
4565 - 4572	Zero electron kinetic energy photoelectron spectroscopy of weakly bound In-NH2CH3, In-NH(CH3)(2), and In-N(CH3)(3) complexes Rothschopf GK, Li SG, Shannon Perkins J, Yang DS
4573 - 4585	Empirical potentials for rovibrational energy transfer of hydrogen fluoride in collisions with argon Shroll RM, Lohr LL, Barker JR
4586 - 4592	The branching ratio between reaction and relaxation in the removal of H2O from its vertical bar 04 >(-) vibrational state in collisions with H atoms Barnes PW, Sims IR, Smith IWM, Lendvay G, Schatz GC
4593 - 4603	Molecule frame photoelectron angular distributions from oriented methyl chloride and methyl fluoride molecules Hikosaka Y, Eland JHD, Watson TM, Powis I
4604 - 4611	Guanine tautomerism revealed by UV-UV and IR-UV hole burning spectroscopy Nir E, Janzen C, Imhof P, Kleinermanns K, de Vries MS
4612 - 4619	Photodissociation studies of microsolvated metal cation complexes Mg+(NCCH3)(n) (n=1-4) Liu HC, Guo WU, Yang SJ
4620 - 4631	Photoelectron spectroscopy of GaX2-, Ga2X-, Ga2X2-, and Ga2X3-(X=P,As) Taylor TR, Gomez H, Asmis KR, Neumark DM
4632 - 4639	Matrix-isolation investigation of the diatomic anion radicals of aluminum and gallium (Al-2(-) and Ga-2(-)): An electron spin resonance and ab initio theoretical study Stowe AC, Kaup JG, Knight LB, Davis JR, McKinley AJ
4640 - 4659	Accurate first-derivative nonadiabatic couplings for the H-3 system Abrol R, Shaw A, Kuppermann A, Yarkony DR
4660 - 4669	Small-angle neutron scattering from supercritical heavy water at off-critical densities Bonetti M, Calmettes P, Bervillier C
4670 - 4675	Harmonic collective modes in atomic liquids Antoniou D, Schwartz SD
4676 - 4680	The bridge functions of molten salts Tasseven C, Gonzalez LE, Silbert M, Alcaraz O, Trullas J
4681 - 4688	A dynamic light scattering study of the hypersonic relaxation in liquid toluene Rubio JEF, Baonza VG, Taravillo M, Nunez J, Caceres M
4689 - 4695	Temperature and density dependent solute vibrational relaxation in supercritical fluoroform Myers DJ, Shigeiwa M, Cherayil BJ, Fayer MD
4696 - 4707	Dissipative wave-packet dynamics and electron transfer Lucke A, Ankerhold J
4708 - 4717	Time-dependent density functional theory for molecules in liquid solutions Cossi M, Barone V
4718 - 4731	Ferroelectric order in positionally frozen dipolar systems Klapp SHL, Patey GN
4732 - 4741	Rotational dynamics of coumarins in nonassociative solvents: Point dipole versus extended charge distribution models of dielectric friction Dutt GB, Krishna GR, Raman S
4742 - 4749	Mechanism of proton transfer in ice. II. Hydration, modes, and transport Kobayashi C, Saito S, Ohmine I
4750 - 4765	A study of aqueous solutions of lanthanide ions by molecular dynamics simulation with ab initio effective pair potentials Floris FM, Tani A
4766 - 4769	Hard sphere perturbation theory for thermodynamics of soft-sphere model liquid Mon KK
4770 - 4775	Determination of pair-potential parameters from experimental structure factors Toth G
4776 - 4786	Interaction of short-chain alkane thiols and thiolates with small gold clusters: Adsorption structures and energetics Kruger D, Fuchs H, Rousseau R, Marx D, Parrinello M
4787 - 4790	Positron annihilation inside C-60 Ito Y, Iwasa Y, Tuan NM, Moriyama S
4791 - 4797	Properties of CO adsorbed in ZSM5 zeolite: Density functional theory study using the embedding scheme based on electron density partitioning Wesolowski TA, Goursot A, Weber J
4798 - 4810	Periodic Hartree-Fock study of the adsorption of molecular oxygen on a reduced TiO2 (110) surface de Lara-Castells MP, Krause JL
4811 - 4818	Effects of morphology on the low-energy electron stimulated desorption of O- from O-2 deposited on benzene and water ices Bass AD, Parenteau L, Weik F, Sanche L
4819 - 4828	Photodissociation of ICN at the liquid/vapor interface of chloroform Vieceli J, Chorny I, Benjamin I
4829 - 4838	Stochastic model of CO oxidation on platinum surfaces and deterministic limit Reichert C, Starke J, Eiswirth M
4839 - 4849	On the orientational effects in monolayers of diatomic molecules Patrykiejew A, Salamacha A, Sokolowski S, Zientarski T, Binder K
4850 - 4861	Brownian dynamics simulations of ions channels: A general treatment of electrostatic reaction fields for molecular pores of arbitrary geometry Im W, Roux B
4862 - 4872	Associating polyelectrolyte solutions: Normal and anomalous reversible gelation Potemkin II, Andreenko SA, Khokhlov AR
4873 - 4882	Copolymer adsorption on planar substrates with a random distribution of chemical heterogeneities Genzer J
4883 - 4889	A Monte Carlo simulation of nucleation in amphiphilic solution Kusaka I, Oxtoby DW
4890 - 4903	New statistical mechanical treatment of systems near surfaces. V. Incompressible blend of interacting polydisperse linear polymers Batman R, Chhajer M, Gujrati PD
4904 - 4908	The static dielectric constant of a colloidal suspension Lu CYD
4909 - 4918	Characterizing the function of unstructured proteins: Simulations of charged polymers under confinement Bright JN, Stevens MJ, Hoh J, Woolf TB
4919 - 4923	Tuning the optical properties of thiophene oligomers toward infrared emission: A theoretical study Daminelli G, Widany J, Di Carlo A, Lugli P
4924 - 4929	Relaxation of disordered polymer networks: Regular lattice made up of small-world Rouse networks Gurtovenko AA, Blumen A
4930 - 4937	Calculation of the free energy of polymeric systems in terms of compositional and orientational order parameters Fukuda J, Yokoyama H
4938 - 4950	Molecular dynamics simulation of NMR relaxation rates and slow dynamics in lipid bilayers Lindahl E, Edholm O
4951 - 4960	Polyelectrolyte adsorption on charged particles: Ionic concentration and particle size effects - A Monte Carlo approach Chodanowski P, Stoll S
4961 - 4965	Effect of tacticity on the segmental dynamics of polypropylene melts investigated by C-13 nuclear magnetic resonance Lippow SM, Qiu XH, Ediger MD
4966 - 4966	Thermochemistry of disulfur decafluoride, S2F10 (vol 103, pg 10162, 1995) Irikura KK