Journal of Chemical Physics

Journal of Chemical Physics, Vol.111, No.9 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (66 articles)

3779 - 3782	Population and coherence control by three-pulse four-wave mixing Brown EJ, Pastirk I, Grimberg BI, Lozovoy VV, Dantus M
3783 - 3786	Photodissociation of the vinyl radical (C2H3) via the first excited state: The C2H2((X)over-tilde(1)Sigma(+)(g))+H channel Xu KS, Zhang JS
3787 - 3790	Construction of an accurate potential energy surface by interpolation for quantum dynamics studies of a three-body system Lin SY, Park SC, Kim MS
3791 - 3799	Excited-state reversible geminate recombination with quenching in one dimension Kim H, Shin KJ, Agmon N
3800 - 3805	Ab initio classical trajectories on the Born-Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits Millam JM, Bakken V, Chen W, Hase WL, Schlegel HB
3806 - 3811	The utility of many-body decompositions for the accurate basis set extrapolation of ab initio data Mielke SL, Garrett BC, Peterson KA
3812 - 3819	Interaction optimized basis sets for correlated ab initio calculations on the water dimer van Duijneveldt-van de Rijdt JGCM, van Duijneveldt FB
3820 - 3831	Property calculations using perturbed orbitals via state-specific multireference coupled-cluster and perturbation theories Chattopadhyay S, Mahapatra US, Mukherjee D
3832 - 3836	Z-vector formalism for the Fock space multireference coupled cluster method: Elimination of the response of the highest valence sector amplitudes Ajitha D, Pal S
3837 - 3845	Theoretical study of the electronic ground state of iron(II) porphine. II Choe YK, Nakajima T, Hirao K, Lindh R
3846 - 3854	High-level ab initio computations of structures and relative energies of two isomers of the CO2 trimer Tsuzuki S, Klopper W, Luthi HP
3855 - 3861	Density functional theory study on ethanol dimers and cyclic ethanol trimers Gonzalez L, Mo O, Yanez M
3862 - 3873	Dynamics of the O(P-3) plus HCl reaction on the (3)A '' electronic state: A new ab initio potential energy surface, quasi-classical trajectory study, and comparison to experiment Ramachandran B, Schrader EA, Senekowitsch J, Wyatt RE
3874 - 3879	Hydrogen bonding, structure, and dynamics of benzonitrile-water Melandri S, Consalvo D, Caminati W, Favero PG
3880 - 3890	Photoionization studies of germanium and tin clusters in the energy region of 5.0-8.8 eV: Ionization potentials for Ge-n (n=2-57) and Sn-n (n=2-41) Yoshida S, Fuke K
3891 - 3897	Isotopic effects on vibrational energy transfer in CO Coletti C, Billing GD
3898 - 3910	Vibronic spectroscopy of jet-cooled indazole: S-1 <-> S-0 spectra and mode assignments Jalviste E, Temps F
3911 - 3918	The rotational spectrum of rhomboidal SiC3 Apponi AJ, McCarthy MC, Gottlieb CA, Thaddeus P
3919 - 3928	Fourier transform microwave rotational spectra of the Ne-2-N2O and Ar-2-N2O van der Waals trimers Ngari MS, Jager W
3929 - 3939	The semirigid vibrating rotor target model for quantum polyatomic reaction dynamics Zhang JZH
3940 - 3945	Photodissociation of hydrogen sulfide at 157.6 nm: Observation of SH bimodal rotational distribution Liu X, Hwang DW, Yang XF, Harich S, Lin JJ, Yang X
3946 - 3953	Photoinduced changes in the structure of a van der Waals complex. Three-dimensional inertial axis reorientation in the S-1 <- S-0 electronic spectrum of indole-Ar Korter TM, Kupper J, Pratt DW
3954 - 3960	The reaction of O+(S-4) and N-2(X (1)Sigma(+)(g)) revisited: Recoil velocity analysis of the NO+ product Levandier DJ, Dressler RA, Chiu YH, Murad E
3961 - 3969	Tunneling in jet-cooled 5-methyltropolone and 5-methyltropolone-OD. Coupling between internal rotation of methyl group and proton transfer Nishi K, Sekiya H, Kawakami H, Mori A, Nishimura Y
3970 - 3977	Time-resolved infrared diode laser spectroscopy of the nu(3) band of the jet-cooled Fe(CO)(2) radical produced by ultraviolet photolysis of Fe(CO)(5) Tanaka K, Tachikawa Y, Sakaguchi K, Hikida T, Tanaka T
3978 - 3988	Ab initio and density functional study on the mechanism of the C2H2++methanol reaction Irle S, Morokuma K
3989 - 3994	Theoretical study of low-lying electronic states of TiCl and ZrCl Sakai Y, Mogi K, Miyoshi E
3995 - 4004	Aqua-potassium(I) complexes: Ab initio study Lee HM, Kim J, Lee S, Mhin BJ, Kim KS
4005 - 4012	Photodissociation of CBrCl3 at 234 and 265 nm: Evidence of the curve crossing Jung YJ, Park MS, Kim YS, Jung KH, Volpp HR
4013 - 4024	Spin-orbit effects in quantum mechanical rate constant calculations for the F+H-2 -> HF+H reaction Aoiz FJ, Banares L, Castillo JF
4025 - 4031	The reaction of O(D-1) with H2O, D2O monomers and clusters and the intracomplex reaction in N2O-X2O (X=H,D) photo-initiated at 193 and 212.8 nm Imura K, Veneziani M, Kasai T, Naaman R
4032 - 4040	Quantum calculations of highly excited vibrational spectrum of sulfur dioxide. II. Normal to local mode transition and quantum stochasticity Ma GB, Guo H
4041 - 4050	Photoelectron spectroscopy of pyridine cluster anions, (Py)(n)(-)(n=4-13) Han SY, Song JK, Kim JH, Oh HB, Kim SK
4051 - 4055	Adiabatic states of ozone using Fock space multireference coupled cluster method Vaval N, Pal S
4056 - 4067	Benchmark calculations of chemical reactions in density functional theory: Comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H-2+H and H-2+H-2 reactions Schipper PRT, Gritsenko OV, Baerends EJ
4068 - 4076	New empirical rate expression for reactions without a barrier: Analysis of the reaction of CN with O-2 Hessler JP
4077 - 4086	Resonant two-photon ionization spectroscopy of jet-cooled PdC Langenberg JD, Shao L, Morse MD
4087 - 4100	An intramolecular theory of the mass-independent isotope effect for ozone. I. Hathorn BC, Marcus RA
4101 - 4112	Competing reaction pathways from Y+C2H2 collisions Stauffer HU, Hinrichs RZ, Willis PA, Davis HF
4113 - 4120	Photomanipulation of external molecular modes: A time-dependent self-consistent-field approach Yan ZC, Seideman T
4121 - 4130	Two-dimensional vibrational spectroscopy. I. Theoretical calculation of the nonlinear Raman response function of CHCl3 Hahn S, Park K, Cho M
4131 - 4139	Two-dimensional vibrational spectroscopy. II. Ab initio calculation of the coherent 2D infrared response function of CHCl3 and comparison with the 2D Raman response function Park K, Cho MH, Hahn S, Kim D
4140 - 4147	Two-dimensional vibrational spectroscopy. III. Theoretical description of the coherent two-dimensional IR-Raman spectroscopy for the investigation of the coupling between both IR- and Raman-active vibrational modes Cho MH
4148 - 4152	Optical Kerr-effect investigation of the reorientational dynamics of CS2 in CCl4 solutions Idrissi A, Ricci M, Bartolini P, Righini R
4153 - 4157	Phase behavior of colloidal rod-sphere mixtures Vliegenthart GA, Lekkerkerker HNW
4158 - 4168	Two-exciton states and spectroscopy of phenylacetylene dendrimers Chernyak V, Poliakov EY, Tretiak S, Mukamel S
4169 - 4185	The role of the attractive and the repulsive interactions in the nonpolar solvation dynamics in simple fluids from the gas-like to the liquid-like densities Yamaguchi T, Kimura Y, Hirota N
4186 - 4190	Application of hard sphere equations of state to the Weeks-Chandler-Andersen reference system Mulero A, Galan C, Cuadros F
4191 - 4198	High resolution infrared absorption spectra of methane molecules isolated in solid parahydrogen matrices Tam S, Fajardo ME, Katsuki H, Hoshina H, Wakabayashi T, Momose T
4199 - 4204	Coexistence curve and turbidity of aqueous solutions of oligooxyethylene alkyl ether with the addition of urea near the critical point Shimofure S, Kubota K, Kita R, Dobashi T
4205 - 4217	Reversible diffusion-controlled reactions in a disordered system of static spherical catalysts Felderhof BU, Jones RB
4218 - 4229	Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method Chelli R, Ciabatti S, Cardini G, Righini R, Procacci P
4230 - 4238	Infrared spectra and density functional calculations of the CrO2-, MoO2-, and WO2- molecular anions in solid neon Zhou MF, Andrews L
4239 - 4250	Microscopic solvent structure of subcritical and supercritical methanol from ultraviolet/visible absorption and fluorescence spectroscopies Bulgarevich DS, Sako T, Sugeta T, Otake K, Takebayashi Y, Kamizawa C, Uesugi M, Kato M
4251 - 4266	Transport and spectroscopy of the hydrated proton: A molecular dynamics study Vuilleumier R, Borgis D
4267 - 4272	Transient equations for multiple nucleation on solid electrodes: A stochastic description D'Ajello PCT, Munford ML, Pasa AA
4273 - 4280	Electrostriction in field-structured composites: Basis for a fast artificial muscle? Martin JE, Anderson RA
4281 - 4290	Condensation pressures in small pores: An analytical model based on density functional theory Nilson RH, Griffiths SK
4291 - 4299	Etching effects during the chemical vapor deposition of (100) diamond Battaile CC, Srolovitz DJ, Oleinik II, Pettifor DG, Sutton AP, Harris SJ, Butler JE
4300 - 4309	Simulation of an asymmetric electrolyte with charge asymmetry 60 : 1 using hard-sphere and soft-sphere models Lobaskin V, Linse P
4310 - 4318	Stochastic simulations of micellization kinetics Mavelli F, Maestro M
4319 - 4326	Unexpected phase behavior of an asymmetric diblock copolymer Papadakis CM, Almdal K, Mortensen K, Vigild ME, Stepanek P
4327 - 4333	Detection of the onset of demixing in simulations of polypropylene melts in which the chains differ only in stereochemical composition Haliloglu T, Mattice WL
4334 - 4342	Nematic-isotropic interfaces in semiflexible polymer blends Drovetsky BY, Liu AJ, Mak CH
4343 - 4350	Nanoscale shock wave spectroscopy: A direct view of coherent ultrafast bath dynamics Kohen D, Martens CC
4351 - 4352	Effect of reagent rotation in O(D-1)+H-2 (v=0,j): A sensitive probe of the accuracy of the ab initio excited surfaces? Lee SH, Liu KP