Journal of Chemical Physics

Journal of Chemical Physics, Vol.108, No.10 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (63 articles)

3849 - 3853	Exterior complex dilation for grid methods: Application to the cumulative reaction probability Karlsson HO
3854 - 3862	Calculation of nuclear magnetic shieldings. XII. Relativistic no-pair equation Fukui H, Baba T
3863 - 3870	TDMP2 calculation of dynamic multipole polarizabilities and dispersion coefficients for the halogen anions F-, Cl-, Br- and I- Hattig C, Hess BA
3871 - 3875	Dynamic path integral methods: A maximum entropy approach based on the combined use of real and imaginary time quantum Monte Carlo data Kim D, Doll JD, Freeman DL
3876 - 3885	Towards an accurate gold carbonyl binding energy in AuCO+: Basis set convergence and a comparison between density functional and conventional methods Dargel TK, Hertwig RH, Koch W, Horn H
3886 - 3896	The largest angle generalization of the rotating bond order potential: Three different atom reactions Lagana A, de Aspuru GO, Garcia E
3897 - 3902	Competitive events in fifth order time resolved coherent Raman scattering: Direct versus sequential processes Ulness DJ, Kirkwood JC, Albrecht AC
3903 - 3908	Phase lag near the resonances in (omega(1), omega(3)) coherent control Lee S
3909 - 3914	Ultrafast reaction dynamics in cluster ions: Simulation of the transient photoelectron spectrum of I2-Arn photodissociation Faeder J, Parson R
3915 - 3921	Microscopic solvent structure of supercritical carbon dioxide and its mixtures with methanol in the cybotactic region of the solute molecule Bulgarevich DS, Sako T, Sugeta T, Otake K, Sato M, Uesugi M, Kato M
3922 - 3931	Femtosecond dynamics of NaI ionization and dissociative ionization Charron E, Suzor-Weiner A
3932 - 3939	Microwave spectrum of the furan-CO van der Waals complex Brupbacher T, Makarewicz J, Bauder A
3940 - 3954	Limited coordination number and competitive coordination in ammonia-water mixed-ligand complexes of monopositive metal ions as studied by the laser-ablation molecular beam method: Experiment and simulation Sato H, Matsuzaki A, Nishio S, Ito O, Furukawa K, Kawasaki T
3955 - 3961	The rotational spectrum and nuclear quadrupole hyperfine structure of CO2-N2O Leung HO
3962 - 3965	Study of the NH4 tunneling manifold by energy level matching in the proton spin rotating frame Choi C, Damyanovich A, Peternel J, Pintar MM
3966 - 3973	Electronic to vibrational and rotational energy transfer in S(D-1)+CO quenching reaction: Ab initio MO and surface hopping trajectory studies Tachikawa H
3974 - 3986	Dynamical quenching of field-induced dissociation of H-2(+) in intense infrared lasers Chateauneuf F, Nguyen-Dang TT, Ouellet N, Atabek O
3987 - 4001	A coupled cluster study of the 1(1)A(1g) and 1(1)B(2u) states of benzene Christiansen O, Stanton JF, Gauss J
4002 - 4012	Low-energy electron scattering from the water molecule: Angular distributions and rotational excitation Gianturco FA, Meloni S, Paioletti P, Lucchese RR, Sanna N
4013 - 4020	Six-wave mixing spectroscopy: Resonant coherent hyper-Raman scattering Yang M, Kim JY, Jung Y, Cho MH
4021 - 4030	Ab initio study on the mechanism of C2H2+NH3 reaction: Efficient charge transfer and proton transfer processes competing with stable complex formation Cui Q, Morokuma K
4031 - 4038	Theoretical studies of the effect of hydrogen-hydrogen interactions on the structural and dynamical properties of metal/hydrogen clusters Chen B, Gomez MA, Doll JD, Freeman DL
4039 - 4046	The ion pairing and hydration structure of Ni2+ in supercritical water at 425 degrees C determined by x-ray absorption fine structure and molecular dynamics studies Wallen SL, Palmer BJ, Fulton JL
4047 - 4053	Theoretical study of the electronic states of CS2++ Hochlaf M, Chambaud G, Rosmus P
4054 - 4059	The photodepletion action spectrum of the (BaF)(2) cluster Pereira R, Skowronek S, Urena AG
4060 - 4069	Molecular dynamics in low-spin excited states Frank I, Hutter J, Marx D, Parrinello M
4070 - 4078	Photodissociation of triplet and singlet states of the CCO radical Choi H, Mordaunt DH, Bise RT, Taylor TR, Neumark DM
4079 - 4089	The solvation of ions in acetonitrile and acetone: A molecular Ornstein-Zernike study Richardi J, Fries PH, Krienke H
4090 - 4097	Deuteration-induced phase transition in ammonium hexachloroplumbate Kume Y, Muraoka H, Yamamuro O, Matsuo T
4098 - 4106	Lithium impurity recombination in solid para-hydrogen: A path integral quantum transition state theory study Jang SJ, Voth GA
4107 - 4111	Melting curves for neon calculated from pure theory Solca J, Dyson AJ, Steinebrunner G, Kirchner B, Huber H
4112 - 4122	Singly vibrationally enhanced infrared four wave mixing spectroscopy LaBuda MJ, Wright JC
4123 - 4130	Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6 Luis JM, Marti J, Duran M, Andres JL, Kirtman B
4131 - 4137	Density effect on molecular bond length in fluid I-2 by x-ray absorption spectroscopy Buontempo U, Filipponi A, Postorino P, Zaccari R
4138 - 4147	Dynamical structure of oligo(ethylene glycol)s water solutions studied by time domain reflectometry Sato T, Niwa H, Chiba A, Nozaki R
4148 - 4158	Theoretical study of spectroscopical properties of Na and Na-2 in argon clusters and matrices Gross M, Spiegelmann F
4159 - 4172	Femtosecond fifth-order nonlinear response of nuclear motion in liquids investigated by incoherent laser light. Part I. Theory Pfeiffer M, Lau A
4173 - 4182	Femtosecond fifth-order nonlinear response of nuclear motion in liquids investigated by incoherent laser light. Part II. Experiment Lau A, Pfeiffer M, Kozich V, Tschirschwitz F
4183 - 4188	Proton rotating frame spin-lattice relaxation study of slow motion of pore water Holly R, Peemoeller H, Choi C, Pintar MM
4189 - 4198	Scaling of the interfacial tension of microemulsions: A Landau theory approach Leitao H, da Gama MMT, Strey R
4199 - 4211	Adsorption and desorption dynamics of H-2 and D-2 on Cu(111): The role of surface temperature and evidence for corrugation of the dissociation barrier Murphy MJ, Hodgson A
4212 - 4218	Surface diffusion of K on Pd{111}: Coverage dependence of the diffusion coefficient determined with the Boltzmann-Matano method Snabl M, Ondrejcek M, Chab V, Chvoj Z, Stenzel W, Conrad H, Bradshaw AM
4219 - 4225	Molecular dynamics simulations of the MgO(001) surface hydroxylation Oviedo J, Calzado CJ, Sanz JF
4226 - 4236	The dissociation of diatomic molecules on vibrating surfaces: A semiclassical generalized Langevin approach Dohle M, Saalfrank P, Uzer T
4237 - 4241	Rapid vapor deposition of millimeters thick optically transparent parahydrogen solids for matrix isolation spectroscopy Fajardo ME, Tam S
4242 - 4247	Magnetic circular dichroism study of CdSe quantum dots Kuno M, Nirmal M, Bawendi G, Efros A, Rosen M
4248 - 4256	Determination of lateral interaction energies in AgAu alloy films on Ru(0001) by Monte Carlo simulations Michels J, Wandelt K
4257 - 4266	Measurement of the molecular content of binary nuclei. IV. Use of the nucleation rate surfaces for the n-nonane-n-alcohol series Viisanen Y, Wagner PE, Strey R
4267 - 4281	Monte Carlo simulation of the phase separation dynamics of polymer blends in the presence of block copolymers. IV. Effects of chain length and composition of repulsive black copolymer Kim SH, Jo WH
4282 - 4291	Critical behavior of asymmetric polymer blend solutions: Poly(methyl methacrylate) poly(dimethyl siloxane) solvent Miyashita N, Nose T
4292 - 4298	Generalized pathway model to compute and analyze tunneling matrix elements in proteins de Andrade PCP, Onuchic J
4299 - 4304	Diffusion of liquid n-alkanes: Free-volume and density effects von Meerwall E, Beckman S, Jang J, Mattice WL
4305 - 4314	Monte-Carlo simulations of polymer crystallization in dilute solution Chen CM, Higgs PG
4315 - 4318	Optical absorption of nanoscale colloidal silver: Aggregate band and adsorbate-silver surface band Fang Y
4319 - 4323	Two-photon absorption spectrum of 3-butoxycarbonylmethylurethane polydiacetylene thin films Banfi G, Fortusini D, Dainesi P, Grando D, Sottini S
4324 - 4332	Orientational ordering and dynamics in the columnar phase of a discotic liquid crystal studied by deuteron NMR spectroscopy Shen X, Dong RY, Boden N, Bushby RJ, Martin PS, Wood A
4333 - 4339	Thermally induced morphological transition from lamella to gyroid in a binary blend of diblock copolymers Sakurai S, Umeda H, Furukawa C, Irie H, Nomura S, Lee HH, Kim JK
4340 - 4348	From many monomers to many polymers: Soft ellipsoid model for polymer melts and mixtures Murat M, Kremer K
4349 - 4350	Identification of the origin of trans-free base isobacteriochlorin's S-2 <- S-0 Huang WY, Johnson LW
4351 - 4352	Comment on "Modified nonequilibrium molecular dynamics for fluid flows with energy conservation" [J. Chem. Phys. 106, 5615 (1997)] Evans DJ, Searles DJ, Hoover WG, Hoover CG, Holian BL, Posch HA, Morriss GP
4353 - 4354	Response to "Comment on 'Modified nonequilibrium molecular dynamics for fluid flows with energy conservation' " [J. Chem. Phys. 108, 4351 (1998)] Tuckerman ME, Mundy CJ, Balasubramanian S, Klein ML
4355 - 4357	Comment on "The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models" [J. Chem. Phys. 106, 1827 (1997)] Kirtman B, Toto JL, Breneman C, de Melo CP, Bishop DM
4358 - 4360	Response to "Comment on 'The hyperpolarizability of trans-butadiene: A critical test case for quantum chemical models'" [J. Chem. Phys. 108, 4355(1998)] Norman P, Luo Y, Jonsson D, Agren H