TE (Meta-)stability domain of ice XII revealed between 158-212 K and 0.7-1.5 GPa on isobaric heating of high-density amorphous ice AU Thomas Loerting, Ingrid Kohl, Christoph Salzmann, Erwin Mayer, and Andreas Hallbrucker PP 3171-3174

ARTICLES

TE Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations AU Florian Weigend, Andreas Koehn, and Christof Haettig PP 3175-3183 TE Two functions of the density matrix and their relation to The chemical bond AU Hartmut L.Schmider and Axel D.Becke PP 3184-3193 TE Perturbative corrections to the equation-of-motion spin-flip self-consistent field model: Application to bond-breaking and equilibrium properties of diradicals AU Anna I.Krylov and C.David Sherrill PP 3194-3203 TE Logarithmic moments of relaxation time distributions AU Reiner Zorn PP 3204-3209 TE Two Krylov space algorithms for repeated large scale sparse matrix diagonalization AU J.H.Skone and E.Curotto PP 3210-3222 TE Centroid-based methods for calculating quantum reaction rate constants: Centroid sampling versus centroid dynamics AU Qiang Shi and Eitan Geva PP 3223-3233 TE 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 DH_{2}^{+} system AU Chaoyuan Zhu, Hideyuki Kamisaka, and Hiroki Nakamura PP 3234-3247 TE A combined crossed-beam, ab initio, and Rice-Ramsperger-Kassel- Marcus investigation of the reaction of carbon atoms C(^{3}P_{j}) with benzene, C_{6}H_{6}(X ^{1}A_{1g}) and d_{6}-benzene, C_{6}D_{6}(X ^{1}A_{1g}) AU I.Hahndorf, Y.T.Lee, R.I.Kaiser, L.Vereecken, J.Peeters, H.F.Bettinger, P.R.Schreiner, P.v.R.Schleyer, W.D.Allen, and H.F.Schaefer III PP 3248-3262 TE Spectroscopy on rare gas-doped silver clusters in helium droplets AU Thomas Diederich, Josef Tiggesbaeumker, and Karl-Heinz Meiwes-Broer PP 3263-3269 TE Sensitivity-enhanced nuclear quadrupole correlation spectroscopy: Application of single transition operators in nuclear quadrupole resonance of half-integer nucleus AU Jia-Hsing Wang and Ming-Yuan Liao PP 3270-3276 TE Collision effects in the nonlinear Raman response of liquid carbon disulfide AU Thomas l.C.Jansen, Marcel Swart, Lasse Jensen, Piet Th.van Duijnen, Jaap G.Snijders, and Koos Duppen PP 3277-3285 TE Anomalous isotopic predissociation in the F ^{3}Pi_{u}(v=1) state of O_{2} AU B.R.Lewis, S.T.Gibson, J.P.England, G.Stark, and J.B.West PP 3286-3296 TE Electron binding energies of dipole-bound anions at the coupled cluster level with single, double, and triple excitations: HCN^{-} and HNC^{-} AU Kirk A.Peterson and Maciej Gutowski PP 3297-3299 TE Generation of semiclassical and delocalized vibrational wave packet motion of HF molecules oriented in an external static electric field AU Stephen Herve, Frederic Le Quere, and Roberto Marquardt PP 3300-3308 TE Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF_{4} and C_{2}F_{6} dimers AU Seiji Tsuzuki, Tadafumi Uchimaru, Masuhiro Mikami, and Shingo Urata PP 3309-3315 TE Sulfur 1s excitation of S_{2} and S_{8}: Core-valence- and valence-valence-exchange interaction and geometry-specific transitions AU E.Ruehl, R.Flesch, W.Tappe, D.Novikov, and N.Kosugi PP 3316-3322 TE Raman spectroscopic studies on matrix-isolated phosphorus molecules P_{4} and P_{2} AU Andreas Kornath, Alexander Kaufmann, and Martin Torheyden PP 3323-3326 TE Kinetics of phase transformations in a model with metastable fluid-fluid separation: A molecular dynamics study AU D.Costa, P.Ballone, and C.Caccamo PP 3327-3338 TE Predicting the Newtonian viscosity of complex fluids from high strain rate molecular simulations AU Clare McCabe, Charles W.Manke, and Peter T.Cummings PP 3339-3342 TE Vibrational coherence and nonadiabatic dynamics in the condensed phase AU C.R.Gonzalez, S.Fernandez-Alberti, J.Echave, and M.Chergui PP 3343-3352 TE Energy landscape diversity and supercooled liquid properties AU Frank H.Stillinger and Pablo G.Debenedetti PP 3353-3361 TE The shear viscosity of molecular fluids: A calculation by reverse nonequilibrium molecular dynamics AU Patrice Bordat and Florian Mueller-Plathe PP 3362-3369 TE Dynamics of polar solvation in acetonitrile-benzene binary mixtures: Role of dipolar and quadrupolar contributions to solvation AU Bradley M.Luther, Joel R.Kimmel, and Nancy E.Levinger PP 3370-3377 TE Note on the role of the dimensionality in the structural glass transition AU Fabrice Thalmann PP 3378-3383 TE Thermal, structural, and orientational relaxation of supercooled salol studied by polarization-dependent impulsive stimulated scattering AU C.Glorieux, K.A.Nelson, G.Hinze, and M.D.Fayer PP 3384-3395 TE Continuum elastic model of fullerenes and the sphericity of the carbon onion shells AU Shoaib Ahmad PP 3396-3400 TE New model for nearly constant dielectric loss in conductive systems: Temperature and concentration dependencies AU J.Ross Macdonald PP 3401-3409 TE Simulations of binary hard-sphere crystal-melt interfaces: Interface between a one-component fcc crystal and a binary fluid mixture AU Rachel Sibug-Aga and Brian B.Laird PP 3410-3419 TE Electron-phonon coupling in negatively charged acene- and phenanthrene-edge-type hydrocarbon crystals AU Takashi Kato, Kazunari Yoshizawa, and Kazuyuki Hirao PP 3420-3429 TE Computationally efficient method to calculate the Coulomb interactions in three-dimensional systems with two-dimensional periodicity AU Masaaki Kawata, Masuhiro Mikami, and Umpei Nagashima PP 3430-3448 TE Intrachain exciton quenching analysis in conjugated polymers by two-photon spectroscopy AU R.Schroeder, W.Graupner, U.Scherf, and B.Ullrich PP 3449-3454 TE A systematic Monte Carlo study of self-assembling amphiphiles in solution AU M.Kenward and M.D.Whitmore PP 3455-3470 TE Liquid-like ordered colloidal suspensions of lipid A: The influence of lipid A particle concentration AU M.Thies, P.Quitschau, K.Zimmermann, V.Rusch, C.A.Faunce, and H.H.Paradies PP 3471-3483 TE Phase behaviors of dendrimer/solvent systems: Molecular thermodynamics approach AU Jeong Gyu Jang and Young Chan Bae PP 3484-3492 TE Spatial distribution of a depletion potential between a big solute of arbitrary geometry and a big sphere immersed in small spheres AU Masahiro Kinoshita PP 3493-3501

LETTERS TO THE EDITOR

TE Erratum: "Polarization consistent basis sets: Principles" [J. Chem. Phys., v.115, 9113 (2001)] AU Frank Jensen PP 3502