The Journal of Chemical Physics, 2002, V 116, N 8, February 22.
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