Journal of Chemical Physics

Journal of Chemical Physics, Vol.113, No.10 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (65 articles)

3937 - 3940	Rotational symmetry control of electronic relaxation in ultracold gaseous molecules: Optical-optical double resonance probe of the forbidden T-1 -> S-0 intersystem crossing in jet-cooled thiophosgene, Cl2CS Moule DC, Judge RH, Liu HS, Lim EC
3941 - 3944	Temperature and field dependence of the charge injection from metal electrodes into random organic media Burin AL, Ratner MA
3945 - 3950	The meaning of the irreducible memory function in stochastic theories of dynamics with detailed balance Pitts SJ, Andersen HC
3951 - 3959	Molecular engineering of push-pull dipolar and quadrupolar molecules for two-photon absorption: A multivalence-bond states approach Barzoukas M, Blanchard-Desce M
3960 - 3968	Proper construction of ab initio global potential surfaces with accurate long-range interactions Ho TS, Rabitz H
3969 - 3974	Convergence of the multipole expansion for electrostatic potentials of finite topological atoms Kosov DS, Popelier PLA
3975 - 3979	M-body density functional theory and the generalized hypernetted-chain equation Munakata T, Kim K
3980 - 3989	Can a local mode picture account for vibration-torsion coupling? Ab initio test based on torsional variation of methyl stretching and bending frequencies in methanol Xu LH
3990 - 3995	Evaluation of two-electron integrals for explicit r(12) theories Valeev EF, Schaefer HF
3996 - 4002	Approximate relativistic electronic structure methods based on the quaternion modified Dirac equation Visscher L, Saue T
4003 - 4007	The relativistic scheme for eliminating small components Hamiltonian: Analysis of approximations Barysz M
4008 - 4015	Simple accurate coupled cluster results for the linear E circle times e pseudo-Jahn-Teller effect Bishop RF, Davidson NJ, Quick RM, van der Walt DM
4016 - 4027	Reduced density matrix and combined dynamics of electrons and nuclei Zhao Y, Yokojima S, Chen GH
4028 - 4034	Computing forces with quantum Monte Carlo Assaraf R, Caffarel M
4035 - 4051	Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (I): UBLYP, UB3LYP, and UHF calculations Mitani M, Mori H, Takano Y, Yamaki D, Yoshioka Y, Yamaguchi K
4052 - 4059	An ab initio two-component relativistic method including spin-orbit coupling using the regular approximation Faas S, van Lenthe JH, Hennum AC, Snijders JG
4060 - 4072	Theoretical study of kinetic isotope effects on rate constants for the H-2+C2H -> H+C2H2 reaction and its isotopic variants Kurosaki Y, Takayanagi T
4073 - 4082	Time- and frequency-resolved spontaneous emission: Theory and application to the NO2 (X)over-tilde (2)A '/(A)over-tilde (2)A ' conical intersection Santoro F, Petrongolo C, Lami A
4083 - 4092	Electronic properties of small neutral and charged beryllium clusters Kolchin AM, Hall RW
4093 - 4102	Experimental studies of the vapor phase nucleation of refractory compounds. V. The condensation of lithium Ferguson FT, Nuth JA
4103 - 4108	Thermochemistry of gas phase CF2 reactions: A density functional theory study Lau KKS, Gleason KK, Trout BL
4109 - 4115	Mass analyzed threshold ionization of the Cl-35 and Cl-37 isotopomers of p-chloroaniline Lin JL, Tzeng WB
4116 - 4123	The dependence of intermolecular interactions upon valence coordinate excitation: The upsilon(HF)=4 levels of ArHF Chuang CC, Klemperer W
4124 - 4131	Experimental study of rotationally inelastic collisions of AlH(A (1)Pi) with Ar: State-to-state rate constants and Lambda-doublet propensities Nizamov B, Dagdigian PJ
4132 - 4138	Guided-ion beam investigations of the reactions CO++N-2 and N-2(+)+CO Lu WY, Tosi P, Bassi D
4139 - 4145	Reactivity and electronic states of O-4 along minimum energy paths Hernandez-Lamoneda R, Ramirez-Solis A
4146 - 4152	Vacuum ultraviolet photochemistry of CH4 and isotopomers. II. Product channel fields and absorption spectra Wang JH, Liu KP, Min ZY, Su HM, Bersohn R, Preses J, Larese JZ
4153 - 4157	State-selected photodissociation dynamics of CS2+ in the (C)over-tilde (2)Sigma(+)(g) state Hwang WG, Kim HL, Kim MS
4158 - 4170	Complex formation, rearrangement, and reaction in PhOH++ND3: Vibrational mode effects, recoil velocities, and ab initio studies Green RJ, Kim HT, Qian J, Anderson SL
4171 - 4178	Light-induced nucleation and optical absorption in cesium vapor Uchtmann H, Kazitsyna SY, Baranovskii SD, Hensel F, Rudek MM
4179 - 4189	Photodissociation dynamics of the CNN free radical Bise RT, Hoops AA, Choi H, Neumark DM
4190 - 4202	Mode-dependent vibrational autoionization in aniline Raptis CA, Pratt ST
4203 - 4205	High accuracy non-Born-Oppenheimer calculations for the isotopomers of the hydrogen molecule with explicitly correlated Gaussian functions Kinghorn DB, Adamowicz L
4206 - 4215	Improved quantum mechanical study of the potential energy surface for the bithiophene molecule Duarte HA, Dos Santos HF, Rocha WR, De Almeida WB
4216 - 4229	Structural analysis of the cyclic AlO2 and AlS2 systems in doublet and quartet states at density functional theory and the electron correlation levels Bu YX, Song XY
4230 - 4237	Isomeric structures and energies of H-n(+) clusters (n=13, 15, and 17) Barbatti M, Jalbert G, Nascimento MAC
4238 - 4241	Full configuration interaction and multiconfigurational spin density in boron and carbon atoms Pak MV, Gordon MS
4242 - 4249	Vibrationally excited states and fragmentation geometries of Ne-N and Ar-N clusters, N=3-6, using hyperspherical coordinates Blume D, Greene CH
4250 - 4264	The reaction of benzene with a ground state carbon atom, C(P-3(j)) Bettinger HF, Schleyer PV, Schaefer HF, Schreiner PR, Kaiser RI, Lee YT
4265 - 4273	HONO in solid Kr: Site-selective trans <-> cis isomerization with narrow-band infrared radiation Khriachtchev L, Lundell J, Isoniemi E, Rasanen M
4274 - 4289	A classical ensemble model of three-body collisions in the point contact approximation and application to alignment effects in near-resonant energy transfer collisions of He atoms with Rydberg Ca atoms Shafer-Ray NE, Morrison MA, Parker GA
4290 - 4297	Vibrorotational Raman and infrared spectra of polar diatomic molecules in inert solutions. III. Isotropic and anisotropic Raman spectra of HCl in liquid SF6 Padilla A, Perez J, Hernandez AC
4298 - 4304	The melting of Ar-54-HF: A canonical parallel tempering simulation Ghayal MR, Curotto E
4305 - 4314	The effect of anisotropic reactivity and interaction potential on the kinetics of diffusion controlled reactions Shushin AI
4315 - 4319	Can the visual molecular configuration in computer simulations locate solid-fluid phase boundaries? The case of C-60 Hasegawa M, Ohno K
4320 - 4330	Simulation of the third law free energies of face-centered-cubic and hexagonal-close-packed Lennard-Jones solids Somasi S, Khomami B, Lovett R
4331 - 4339	Magnetic circular dichroism anisotropy from coherent Raman detected electron paramagnetic resonance spectroscopy: Application to spin-1/2 transition metal ion centers in proteins Bingham SJ, Gutschank J, Borger B, Suter D, Thomson AJ
4340 - 4348	Vibrational energy relaxation of azulene in the S-2 state. II. Solvent density dependence Yamaguchi T, Kimura Y, Hirota N
4349 - 4358	Cavity formation energies for diatomic and spherical solutes in a diatomic hard body fluid Ben-Amotz D, Omelyan IP
4359 - 4373	Structure, phase stability, and thermodynamics in charged colloidal solutions Linse P
4374 - 4378	Analysis of "equation of state" for supercooled liquid Paluch M, Hensel-Bielowka S, Psurek T
4379 - 4387	Kinetics of hard sphere and chain adsorption into circular and elliptical pores Skoulidas AI, Sholl DS
4388 - 4391	Investigation of chemisorbed molecular states for oxygen on rhodium (111) Walter EJ, Lewis SP, Rappe AM
4392 - 4407	Field-dependent chemisorption of carbon monoxide and nitric oxide on platinum-group (111) surfaces: Quantum chemical calculations compared with infrared spectroscopy at electrochemical and vacuum-based interfaces Koper MTM, van Santen RA, Wasileski SA, Weaver MJ
4408 - 4411	Self-epitaxial nucleation origin of fractal aggregation Liu XY, Strom CS
4412 - 4423	Toward control of surface reactions with a scanning tunneling microscope. Structure and dynamics of benzene desorption from a silicon surface Alavi S, Rousseau R, Seideman T
4424 - 4432	Statistical mechanics of rotationally inelastic molecule-surface scattering in the dynamical Lie algebraic method Guan DR, Yi XZ, Zheng YH, Ding SK, Sun JZ
4433 - 4443	Chain dynamics and conformational transition in cis-polyisoprene: Comparison between melt and subglass state by molecular dynamics simulations Fukuda M, Kikuchi H
4444 - 4453	Molecular dynamics results on the pressure tensor of polymer films Varnik F, Baschnagel J, Binder K
4454 - 4464	Identifying the adaptive mechanism in globular proteins: Fluctuations in densely packed regions manipulate flexible parts Yilmaz LS, Atilgan AR
4465 - 4468	Theory of coupled phase transitions: Phase separation and abnormal variation of order parameter Zhong F, Jiang M, Xing DY, Dong JM
4469 - 4471	First-order transition of a homopolymer chain with Lennard-Jones potential Liang HJ, Chen HN
4472 - 4475	Rotator-II to rotator-I phase transition in alkanes Mukherjee PK
4476 - 4479	Density-functional studies of amphiphilic binary mixtures. I. Phase behavior Napari I, Laaksonen A, Strey R
4480 - 4487	Density-functional studies of amphiphilic binary mixtures. II. Gas-liquid nucleation Napari I, Laaksonen A, Strey R