Journal of Chemical Physics

Journal of Chemical Physics, Vol.121, No.11 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (62 articles)

5031 - 5034	Freezing on heating of liquid solutions Plazanet M, Floare C, Johnson MR, Schweins R, Trommsdorff HP
5035 - 5038	Reaction-path switching induced by spatial-distribution change of reactants: CO oxidation on Pt(111) Nakai I, Kondoh H, Amemiya K, Nagasaka M, Nambu A, Shimada T, Ohta T
5039 - 5042	Stimulated emission three-pulse photo-echo peakshift: A mixed pump-probe and photon-echo technique for studying excited-state dynamics Larsen DS
5043 - 5050	Many-body interaction analysis: Algorithm development and application to large molecular clusters Kulkarni AD, Ganesh V, Gadre SR
5051 - 5060	Electronic g-tensors of solvated molecules using the polarizable continuum model Rinkevicius Z, Telyatnyk L, Vahtras O, Ruud K
5061 - 5070	Effect of time-dependent basis functions and their superposition error on atom-centered density matrix propagation (ADMP): Connections to wavelet theory of multiresolution analysis Iyengar SS, Frisch MJ
5071 - 5075	Simplified diagrammatic expansion for effective operators Duan CK, Gong YG, Dong HN, Reid MF
5076 - 5080	Conservation of connectivity of model-space effective interactions under a class of similarity transformation Duan CK, Gong YG, Dong HN, Reid MF
5081 - 5090	Thermodynamics of attractive hard rods: A test of mean field density functional theory Khakshouri S, Ford IJ
5091 - 5097	Interpolating moving least-squares methods for fitting potential energy surfaces: Applications to classical dynamics calculations Guo Y, Kawano A, Thompson DL, Wagner AF, Minkoff M
5098 - 5108	New hybrid method for reactive systems from integrating molecular orbital or molecular mechanics methods with analytical potential energy surfaces Espinosa-Garcia J, Rangel C, Navarrete M, Corchado JC
5109 - 5114	A novel method for calculating rate constants of diffusion-influenced reactions Ivanov KL, Lukzen NN
5115 - 5124	The integral encounter theory of multistage reactions containing association-dissociation reaction stages. III. Taking account of quantum states of reactants Ivanov KL, Lukzen NN, Doktorov AB
5125 - 5132	Inelastic hard rods in a periodic potential Cecconi F, Marconi UMB, Diotallevi F, Puglisi A
5133 - 5142	Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture Kirchner B, Hutter J
5143 - 5147	Calculating expectations with time-dependent perturbations in quantum Monte Carlo Kalos MH, de Saavedra FA
5148 - 5162	Accurate vibrational-rotational partition functions and standard-state free energy values for H2O2 from Monte Carlo path-integral calculations Lynch VA, Mielke SL, Truhlar DG
5163 - 5170	Analytical second-order geometrical derivatives of energy for the self-consistent-charge density-functional tight-binding method Witek HA, Irle S, Morokuma K
5171 - 5178	Modeling vibrational spectra using the self-consistent charge density-functional tight-binding method. I. Raman spectra Witek HA, Morokuma K, Stradomska A
5179 - 5182	Rovibrational distributions of HF in the photodissociation of vinyl fluoride at 193 nm: A direct MP2 quasiclassical trajectory study Martinez-Nunez E, Vazquez S
5183 - 5190	Role of the F spin-orbit excited state in the F+HD reaction: Contributions to the dynamical resonance Tzeng YR, Alexander MH
5191 - 5200	Resonance spectrum and dissociation dynamics of ozone in the B-3(2) electronically excited state: Experiment and theory Deppe SF, Wachsmuth U, Abel B, Bittererova M, Grebenshchikov SY, Siebert R, Schinke R
5201 - 5210	Dielectric and vibrational properties of amino acids Tulip PR, Clark SJ
5211 - 5220	Symmetries, vibrational instabilities, and routes to stable structures of clusters of Al, Sn, and As Pushpa R, Narasimhan S, Waghmare U
5221 - 5235	Product multiplet branching in the O(D-1)+H-2 -> OH((2)Pi)+H reaction Alexander MH, Rackham EJ, Manolopoulos DE
5236 - 5240	On the vertical excitation energy of cyclopentadiene Bomble YJ, Sattelmeyer KW, Stanton JF, Gauss J
5241 - 5252	Rovibrational and dynamical properties of the hydrogen bonded complex (CH2)(2)S-HF: A combined free jet, cell, and neon matrix-Fourier transform infrared study Asselin P, Goubet M, Lewerenz M, Soulard P, Perchard JP
5253 - 5260	Molecular elimination of Br-2 in 248 nm photolysis of bromoform probed by using cavity ring-down absorption spectroscopy Huang HY, Chuang WT, Sharma RC, Hsu CY, Lin KC, Hu CH
5261 - 5271	Conformational effects on vibronic spectra and excited state dynamics of 3-fluorobenzoic acid dimer Nandi CK, Hazra MK, Chakraborty T
5272 - 5280	Electron scattering from perfluorocyclobutane (c-C4F8) Jelisavcic M, Panajotovic R, Kitajima M, Hoshino M, Tanaka H, Buckman SJ
5281 - 5283	Spin relaxation in isolated molecules and clusters: The interpretation of Stern-Gerlach experiments Knickelbein MB
5284 - 5292	Electronic excitation and charge transfer processes in collisions between Mg(3(1)S(0)) atoms and Rb+(S-1(0)) ions in the 0.07-4.00 keV energy range Sabido M, de Andres J, Sogas J, Lucas JM, Alberti M, Bofill JM, Aguilar A
5293 - 5311	Rotational excitations of N2O in small helium clusters and the role of Bose permutation symmetry Paesani F, Whaley KB
5312 - 5321	Can density functional methods be used for open-shell actinide molecules? Comparison with multiconfigurational spin-orbit studies Clavaguera-Sarrio C, Vallet V, Maynau D, Marsden CJ
5322 - 5327	Mechanism of anion formation in C 1s ->pi*-excited carbon dioxide Ruhl E, Flesch R
5328 - 5338	Bridge mediated two-electron transfer reactions: On the influence of intersite Coulomb interactions Petrov EG, Teslenko VI, May V
5339 - 5347	Comparison of lattice and continuum treatments of n-alkanes with experimental data Porter JA, Lipson JEG
5348 - 5355	The workings of a molecular thermometer: The vibrational excitation of carbon tetrachloride by a solvent Graham PB, Matus KJM, Stratt RM
5356 - 5371	Dissipative curve crossing problem. I. High-barrier crossing Rips I
5372 - 5380	An improved renormalization group theory for real fluids Mi JG, Zhong CL, Li YG, Tang YP
5381 - 5386	Strong enhancement of vibrational relaxation by Watson-Crick base pairing Woutersen S, Cristalli G
5387 - 5394	Electron spin relaxation due to reorientation of a permanent zero field splitting tensor Schaefle N, Sharp R
5395 - 5399	Mobility-induced instability and pattern formation in a reaction-diffusion system Riaz SS, Kar S, Ray DS
5400 - 5409	Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II Schwegler E, Grossman JC, Gygi F, Galli G
5410 - 5422	Monte Carlo simulations of segregation in Pt-Re catalyst nanoparticles Wang GF, Van Hove MA, Ross PN, Baskes MI
5423 - 5426	Gravity-induced liquid crystal phase transitions of colloidal platelets van der Beek D, Schilling T, Lekkerkerker HNW
5427 - 5433	Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: A parallel molecular dynamics simulation Vemparala S, Kalia RK, Nakano A, Vashishta P
5434 - 5444	The behavior of mixed-metal oxides: Physical and chemical properties of bulk Ce1-xTbxO2 and nanoparticles of Ce1-xTbxOy Wang XQ, Hanson JC, Liu G, Rodriguez JA, Iglesias-Juez A, Fernandez-Garcia M
5445 - 5450	Cycloaddition reactions of cyanogen (C2N2) on the Si(100)-2x1 surface Lim C, Choi CH
5451 - 5454	Positronium lifetime in polymers Camacho A
5455 - 5467	Low-temperature susceptibility of concentrated magnetic fluids Pshenichnikov AF, Lebedev AV
5468 - 5481	Irreversible versus reversible aggregation: Mean field theory and experiments Odriozola G, Leone R, Schmitt A, Callejas-Fernandez J, Martinez-Garcia R, Hidalgo-Alvarez R
5482 - 5487	Lanthanide transport in stabilized zirconias: Interrelation between ionic radius and diffusion coefficient Kilo M, Taylor MA, Argirusis C, Borchardt G, Weber S, Scherrer H, Jackson RA
5488 - 5493	On the thermodynamic stability of clathrate hydrates IV: Double occupancy of cages Tanaka H, Nakatsuka T, Koga K
5494 - 5504	Charge renormalization of charged spheres based on thermodynamic properties Hsin WL, Wang TY, Sheng YJ, Tsao HK
5505 - 5513	Semiflexible polymers in a random environment Dua A, Vilgis TA
5514 - 5530	Competition of hydrophobic and Coulombic interactions between nanosized solutes Dzubiella J, Hansen JP
5531 - 5540	Using nanoparticles to create self-healing composites Lee JY, Buxton GA, Balazs AC
5541 - 5549	Phase behavior of polarizable spherocylinders in external fields Rotunno M, Bellini T, Lansac Y, Glaser MA
5550 - 5552	On the nucleation mechanism of the beta-delta phase transition in the energetic nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine Smilowitz L, Henson BF, Greenfield M, Sas A, Asay BW, Dickson PM
5553 - 5554	A note on geometry relaxation of molecular positron complexes Mohallem JR, Goncalves CP
5555 - 5555	Temperature dependent exciton emission from herringbone aggregates of conjugated oligomers (vol 120, pg 7643, 2004) Spano FC