Journal of Chemical Physics

Journal of Chemical Physics, Vol.116, No.8 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (37 articles)

3171 - 3174	(Meta-)stability domain of ice XII revealed between approximate to 158-212 K and approximate to 0.7-1.5 GPa on isobaric heating of high-density amorphous ice Loerting T, Kohl I, Salzmann C, Mayer E, Hallbrucker A
3175 - 3183	Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations Weigend F, Kohn A, Hattig C
3184 - 3193	Two functions of the density matrix and their relation to the chemical bond Schmider HL, Becke AD
3194 - 3203	Perturbative corrections to the equation-of-motion spin-flip self-consistent field model: Application to bond-breaking and equilibrium properties of diradicals Krylov AI, Sherrill CD
3204 - 3209	Logarithmic moments of relaxation time distributions Zorn R
3210 - 3222	Two Krylov space algorithms for repeated large scale sparse matrix diagonalization Skone JH, Curotto E
3223 - 3233	Centroid-based methods for calculating quantum reaction rate constants: Centroid sampling versus centroid dynamics Shi Q, Geva E
3234 - 3247	New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory. II. Application to the charge transfer processes in the 3D DH2+ system Zhu CY, Kamisaka H, Nakamura H
3248 - 3262	A combined crossed-beam, ab initio, and Rice-Ramsperger-Kassel-Marcus investigation of the reaction of carbon atoms C(P-3(j)) with benzene, C6H6(X (1)A(1g)) and d(6)-benzene, C6D6(X (1)A(1g)) Hahndorf I, Lee YT, Kaiser RI, Vereecken L, Peeters J, Bettinger HF, Schreiner PR, Schleyer PVR, Allen WD, Schaefer HF
3263 - 3269	Spectroscopy on rare gas-doped silver clusters in helium droplets Diederich T, Tiggesbaumker J, Meiwes-Broer KH
3270 - 3276	Sensitivity-enhanced nuclear quadrupole correlation spectroscopy: Application of single transition operators in nuclear quadrupole resonance of half-integer nucleus Wang JH, Liao MY
3277 - 3285	Collision effects in the nonlinear Raman response of liquid carbon disulfide Jansen TIC, Swart M, Jensen L, van Duijnen PT, Snijders JG, Duppen K
3286 - 3296	Anomalous isotopic predissociation in the F-3 Pi(u)(v=1) state of O-2 Lewis BR, Gibson ST, England JP, Stark G, West JB
3297 - 3299	Electron binding energies of dipole-bound anions at the coupled cluster level with single, double, and triple excitations: HCN-and HNC- Peterson KA, Gutowski M
3300 - 3308	Generation of semiclassical and delocalized vibrational wave packet motion of HF molecules oriented in an external static electric field Herve S, Le Quere F, Marquardt R
3309 - 3315	Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers Tsuzuki S, Uchimaru T, Mikami M, Urata S
3316 - 3322	Sulfur 1s excitation of S-2 and S-8: Core-valence- and valence-valence-exchange interaction and geometry-specific transitions Ruhl E, Flesch R, Tappe W, Novikov D, Kosugi N
3323 - 3326	Raman spectroscopic studies on matrix-isolated phosphorus molecules P-4 and P-2 Kornath A, Kaufmann A, Torheyden M
3327 - 3338	Kinetics of phase transformations in a model with metastable fluid-fluid separation: A molecular dynamics study Costa D, Ballone P, Caccamo C
3339 - 3342	Predicting the Newtonian viscosity of complex fluids from high strain rate molecular simulations McCabe C, Manke CW, Cummings PT
3343 - 3352	Vibrational coherence and nonadiabatic dynamics in the condensed phase Gonzalez CR, Fernandez-Alberti S, Echave J, Chergui M
3353 - 3361	Energy landscape diversity and supercooled liquid properties Stillinger FH, Debenedetti PG
3362 - 3369	The shear viscosity of molecular fluids: A calculation by reverse nonequilibrium molecular dynamics Bordat P, Muller-Plathe F
3370 - 3377	Dynamics of polar solvation in acetonitrile-benzene binary mixtures: Role of dipolar and quadrupolar contributions to solvation Luther BM, Kimmel JR, Levinger NE
3378 - 3383	Note on the role of the dimensionality in the structural glass transition Thalmann F
3384 - 3395	Thermal, structural, and orientational relaxation of supercooled salol studied by polarization-dependent impulsive stimulated scattering Glorieux C, Nelson KA, Hinze G, Fayer MD
3396 - 3400	Continuum elastic model of fullerenes and the sphericity of the carbon onion shells Ahmad S
3401 - 3409	New model for nearly constant dielectric loss in conductive systems: Temperature and concentration dependencies Macdonald JR
3410 - 3419	Simulations of binary hard-sphere crystal-melt interfaces: Interface between a one-component fcc crystal and a binary fluid mixture Sibug-Aga R, Laird BB
3420 - 3429	Electron-phonon coupling in negatively charged acene- and phenanthrene-edge-type hydrocarbon crystals Kato T, Yoshizawa K, Hirao K
3430 - 3448	Computationally efficient method to calculate the Coulomb interactions in three-dimensional systems with two-dimensional periodicity Kawata M, Mikami M, Nagashima U
3449 - 3454	Intrachain exciton quenching analysis in conjugated polymers by two-photon spectroscopy Schroeder R, Graupner W, Scherf U, Ullrich B
3455 - 3470	A systematic Monte Carlo study of self-assembling amphiphiles in solution Kenward M, Whitmore MD
3471 - 3483	Liquid-like ordered colloidal suspensions of lipid A: The influence of lipid A particle concentration Thies M, Quitschau P, Zimmermann K, Rusch V, Faunce CA, Paradies HH
3484 - 3492	Phase behaviors of dendrimer/solvent systems: Molecular thermodynamics approach Jang JG, Bae YC
3493 - 3501	Spatial distribution of a depletion potential between a big solute of arbitrary geometry and a big sphere immersed in small spheres Kinoshita M
3502 - 3502	Polarization consistent basis sets: Principles (vol 115, pg 9113, 2001) Jensen F