Journal of Chemical Physics

Journal of Chemical Physics, Vol.109, No.20 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (56 articles)

8743 - 8746	On the mechanism of antiphase electron spin resonance spectra of radical pairs Neufeld AA, Pedersen JB
8747 - 8750	Ultraviolet spectroscopy of water clusters : Excited electronic states and absorption line shapes of (H2O)(n), n=2-6 Harvey JN, Jung JO, Gerber RB
8751 - 8754	Three-dimensional simulation of hexagonal phase of a specific polymer system under shear : The dynamic density functional approach Zvelindovsky AVM, van Vlimmeren BAC, Sevink GJA, Maurits NM, Fraaije JGEM
8755 - 8758	Simulations of high T-c vapor-liquid phase transitions in nanoporous materials Saravanan C, Auerbach SM
8759 - 8763	The generator coordinate Dirac-Fock method for open-shell atomic systems Malli GL, Ishikawa Y
8764 - 8769	A multipole acceptability criterion for electronic structure theory Schwegler E, Challacombe M, Head-Gordon M
8770 - 8782	Multidimensional wave packet dynamics within the fluid dynamical formulation of the Schrodinger equation Dey BK, Askar A, Rabitz H
8783 - 8789	Construction of simulation wave functions for aqueous species : D3O+ Gomez MA, Pratt LR
8790 - 8800	Comparisons of semiclassical approximations by expansion in Planck's constant Yoshimori A
8801 - 8808	The fitting of potential energy surfaces using neural networks : Application to the study of vibrational levels of H-3(+) Prudente FV, Acioli PH, Neto JJS
8809 - 8815	On the potential surface of the locally enhanced sampling approximation Stultz CM, Karplus M
8816 - 8828	Microcanonical Monte Carlo simulation of thermodynamic properties Lustig R
8829 - 8835	Low-energy dissociative electron attachment to CH2Br2, CHClBr2, and CCl3Br : Intermediate lifetimes and decay energetics Parthasarathy R, Finch CD, Wolfgang J, Nordlander P, Dunning FB
8836 - 8841	Vibrational predissociation dynamics of ArHF (3000) and (3110) : Lifetimes and HF product state distributions Chuang CC, Tsang SN, Klemperer W, Chang HC
8842 - 8850	Photodissociation spectroscopy of the Ca+-C2H2 and Ca+-C2D2 pi complexes France MR, Pullins SH, Duncan MA
8851 - 8856	nu(1) and nu(1)+nu(5) of DCCN : Determination of the nu(5) energy and the quasilinearity of DCCN Sun F, Kosterev A, Scott G, Litosh V, Curl RF
8857 - 8863	Femtosecond photodissociation dynamics of I-2 studied by ion imaging Larsen JJ, Morkbak NJ, Olesen J, Bjerre N, Machholm M, Keiding SR, Stapelfeldt H
8864 - 8875	Accurate ab initio near-equilibrium potential energy and dipole moment functions of the X B-2(1) and first excited (2)A(2) electronic states of OClO and OBrO Peterson KA
8876 - 8886	S-2(a(1)Delta) production in the reaction of S D-1 atoms with COS : Spectroscopy and dynamics Richter RC, Rosendahl AR, Hynes PJ, Lee EPF
8887 - 8896	Theoretical studies of nitroamino radical reactions : Rate constants for the unimolecular decomposition of HNNO2 and related bimolecular processes Chakraborty D, Hsu CC, Lin MC
8897 - 8906	The effect of nonadiabatic coupling on the calculation of N(E,J) for the methane association reaction Mardis KL, Sibert EL
8907 - 8919	Dynamical study of the dissociation and elimination channels in the decomposition of methyl nitrite Martinez-Nunez E, Vazquez SA
8920 - 8928	Electronic spectroscopy of the Al-H-2 complex : Excited state dynamics and orbital alignment of the AlH(A (1)Pi) product Yang X, Dagdigian PJ
8929 - 8934	van der Waals resonances in cumulative reaction probabilities for the F+H-2, D-2, and HD reactions Takayanagi T, Kurosaki Y
8935 - 8939	Dehydrogenation and physisorption of saturated hydrocarbons (n-butane and isobutane) on Nb-x(+) Wu QF, Lu WY, Yang SH
8940 - 8947	Two-photon spectroscopy of the NO-Ne complex Fleniken J, Kim Y, Meyer H
8948 - 8952	Protonated fluorine, HF2+ : Ab initio potential energy surface and vibrational splittings for proton transfer Chan WT, Hamilton IP
8953 - 8958	Density functional and ab initio study of the ketene and methylketene radical cations Huang MB, Wang ZX
8959 - 8967	Combination bands versus overtone stretch excitation and rotational effects in vibrationally mediated photodissociation of acetylene Schmid RP, Ganot Y, Bar I, Rosenwaks S
8968 - 8979	Infrared spectroscopy and ab initio potential energy surface for Ne-C2H2 and Ne-C2HD complexes Bemish RJ, Oudejans L, Miller RE, Moszynski R, Heijmen TGA, Korona T, Wormer PES, van der Avoird A
8980 - 8992	Ionization potentials and bond energies of TiO, ZrO, NbO and MoO Loock HP, Simard B, Wallin S, Linton C
8993 - 9001	Weak-field optimal control of Na-2 photodissociation Paci J, Shapiro M, Brumer P
9002 - 9009	Quantum dynamics at a conical intersection : The role of the variation of oscillator frequencies in the diabatic transition Ferretti A, Lami A, Villani G
9010 - 9014	Gas-phase reactions of some positive ions with atomic and molecular nitrogen Scott GBI, Fairley DA, Freeman CG, McEwan MJ, Anicich VG
9015 - 9021	Binary system of network-forming fluid : Study of phase stability through an analytical solution of the Percus-Yevick equation Duda Y
9022 - 9037	Size disparity and lower critical solution temperature : A critical investigation of free-volume disparity Chhajer M, Gujrati PD
9038 - 9051	Turbidity, light scattering, and coexistence curve data for the ionic binary mixture triethyl n-hexyl ammonium triethyl n-hexyl borate in diphenyl ether Wiegand S, Briggs ME, Sengers JMHL, Kleemeier M, Schroer W
9052 - 9056	Binary nucleation of water-sulfuric acid system : A reexamination of the classical hydrates interaction model Noppel M
9057 - 9061	Role of the second-order memory function on the dielectric relaxation Diaz-Calleja R, Sanchis MJ, del Castillo LF
9062 - 9074	Crystal structure and low-temperature methyl-group dynamics of cobalt and nickel acetates Nicolai B, Kearley GJ, Johnson MR, Fillaux F, Suard E
9075 - 9083	Solvation state selective excitation in resonance Raman spectroscopy. I. Experimental study on the C=N and the C=O stretching modes of phenol blue Yamaguchi T, Kimura Y, Hirota N
9084 - 9095	Solvation state selective excitation in resonance Raman spectroscopy. II. Theoretical calculation Yamaguchi T, Kimura Y, Hirota N
9096 - 9100	Non-Cartesian coordinates for instantaneous normal mode theory of atomic liquids Li WX, Keyes T, Murry RL, Fourkas JT
9101 - 9116	Relaxation kinetics of diffusion-influenced reactions of the type A+B reversible arrow C perturbed by flash photolysis Sung J, Shin KJ, Lee SY
9117 - 9133	Density functional solvation model based on CM2 atomic charges Zhu TH, Li JB, Hawkins GD, Cramer CJ, Truhlar DG
9134 - 9147	Characterization of the surface structure of CH3 and CF3 terminated n-alkanethiol monolayers self assembled on Au{111} Houssiau L, Graupe M, Colorado R, Kim HI, Lee TR, Perry SS, Rabalais JW
9148 - 9154	Layer-by-layer heteroepitaxial growth process of a BaO layer on SrTiO3(001) as investigated by molecular dynamics Kubo M, Oumi Y, Miura R, Stirling A, Miyamoto A, Kawasaki M, Yoshimoto M, Koinuma H
9155 - 9165	Electronic states of the C6H6/Cu{111} system : Energetics, femtosecond dynamics, and adsorption morphology Velic D, Hotzel A, Wolf M, Ertl G
9166 - 9171	Solving the Poisson-Boltzmann equation to obtain interaction energies between confined, like-charged cylinders Ospeck M, Fraden S
9172 - 9176	Polyampholyte solutions between charged surfaces : Debye-Huckel theory Dobrynin AV, Rubinstein M, Joanny JF
9177 - 9191	Monte Carlo methods for short polypeptides Schofield J, Ratner MA
9192 - 9196	Protein folding and models of dynamics on the lattice Hoang TX, Cieplak M
9197 - 9198	Comment on "Polarization effects in time resolved incoherent anti-Stokes Raman spectroscopy" [J. Chem. Phys. 105, 6141 (1996)] Mizutani Y
9199 - 9200	Comment on "Morphology-dependent stimulated Raman scattering imaging" [J. Chem. Phys. 105, 7276 (1996)] Campillo AJ, Eversole JD, Lin HB
9201 - 9203	Response to "Comment on ＇Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities : Resolution of the discrepancy between theory and experiment for HF?＇" [J. Chem. Phys. 109, 3293 (1998)] Rozyczko PB, Bartlett RJ
9204 - 9204	Comment on "Response to ＇Comment on "Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities : Resolution of the discrepancy between theory and experiment for HF?" [J. Chem. Phys. 109, 9201 (1998)] Hattig C, Koch H, Jorgensen P