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Issues
22 October 2002
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Vesicle adsorption on and Dependence on vesicle size
J. Chem. Phys. 117, 7401–7404 (2002)
https://doi.org/10.1063/1.1515320
ARTICLES
Theoretical Methods and Algorithms
Quantum dynamics for dissipative systems: A hydrodynamic perspective
J. Chem. Phys. 117, 7409–7425 (2002)
https://doi.org/10.1063/1.1509061
Breakdown of the singlet and triplet nature of electronic states of the superheavy element 114 dihydride
J. Chem. Phys. 117, 7426–7432 (2002)
https://doi.org/10.1063/1.1508371
Adiabatic time-dependent density functional methods for excited state properties
J. Chem. Phys. 117, 7433–7447 (2002)
https://doi.org/10.1063/1.1508368
Optimal series representations for numerical path integral simulations
J. Chem. Phys. 117, 7448–7463 (2002)
https://doi.org/10.1063/1.1509058
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Photodissociation of carbonic dibromide at 267 nm: Observation of three-body dissociation and molecular elimination of
J. Chem. Phys. 117, 7483–7490 (2002)
https://doi.org/10.1063/1.1509063
Predissociations in and states of
T. Bergeman; P. S. Julienne; C. J. Williams; E. Tiesinga; M. R. Manaa; H. Wang; P. L. Gould; W. C. Stwalley
J. Chem. Phys. 117, 7491–7505 (2002)
https://doi.org/10.1063/1.1508375
Geometry optimization of triply charged yttrium-doped helium clusters:
J. Chem. Phys. 117, 7506–7511 (2002)
https://doi.org/10.1063/1.1501281
Calculation of the energy levels of weakly bound molecular trimers: Application to
J. Chem. Phys. 117, 7512–7519 (2002)
https://doi.org/10.1063/1.1507583
Two-electron pseudopotential investigation of the electronic structure of the CaAr molecule
J. Chem. Phys. 117, 7534–7550 (2002)
https://doi.org/10.1063/1.1506921
High resolution and photoelectron spectra of thiophene
A. Giertz; M. Bässler; O. Björneholm; H. Wang; R. Feifel; C. Miron; L. Karlsson; S. Svensson; K. J. Børve; L. J. Sæthre
J. Chem. Phys. 117, 7587–7592 (2002)
https://doi.org/10.1063/1.1508374
Structure and property of glycine’s derivatives bound by multications and A theoretical study
J. Chem. Phys. 117, 7593–7602 (2002)
https://doi.org/10.1063/1.1481759
A five-dimensional quantum mechanical study of the reaction
J. Chem. Phys. 117, 7614–7623 (2002)
https://doi.org/10.1063/1.1508372
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Volume effects on the molecular mobility close to glass transition in supercooled phenylphthalein-dimethylether. II
J. Chem. Phys. 117, 7624–7630 (2002)
https://doi.org/10.1063/1.1510115
A theoretical study on decomposition of formic acid in sub- and supercritical water
J. Chem. Phys. 117, 7631–7639 (2002)
https://doi.org/10.1063/1.1509057
Surfaces, Interfaces, and Materials
Interactions of a conjugated molecular diode with small metal clusters of Cu, Ag, and Au: First-principles calculations
J. Chem. Phys. 117, 7669–7675 (2002)
https://doi.org/10.1063/1.1509053
New lambda integration method to compute surface free energies of disordered surfaces
J. Chem. Phys. 117, 7676–7684 (2002)
https://doi.org/10.1063/1.1509059
Universal simulation method to compute surface and interfacial free energies of disordered solids
J. Chem. Phys. 117, 7685–7690 (2002)
https://doi.org/10.1063/1.1509060
Dimensional changes as a function of charge injection for trans-polyacetylene: A density functional theory study
J. Chem. Phys. 117, 7691–7697 (2002)
https://doi.org/10.1063/1.1509052
Semirigid vibrating rotor target model for dissociation on a Ni(111) surface
J. Chem. Phys. 117, 7698–7704 (2002)
https://doi.org/10.1063/1.1509062
Electron solvation in aqueous reverse micelles: Equilibrium properties
J. Chem. Phys. 117, 7712–7718 (2002)
https://doi.org/10.1063/1.1509449
Layering and orientational ordering of propane on graphite: An experimental and simulation study
J. Chem. Phys. 117, 7719–7731 (2002)
https://doi.org/10.1063/1.1508363
Effect of shape on the critical nucleus size in a three-dimensional Ising model: Energetic and kinetic approaches
J. Chem. Phys. 117, 7732–7737 (2002)
https://doi.org/10.1063/1.1509051
Surface relaxation in liquid water and methanol studied by x-ray absorption spectroscopy
J. Chem. Phys. 117, 7738–7744 (2002)
https://doi.org/10.1063/1.1508364
Polymers, Biopolymers, and Complex Systems
Rotational dynamics of charged colloidal spheres: Role of particle interactions
J. Chem. Phys. 117, 7751–7764 (2002)
https://doi.org/10.1063/1.1509054
The thermodynamics of reversible cyclization in semiflexible polymers
J. Chem. Phys. 117, 7765–7773 (2002)
https://doi.org/10.1063/1.1509448
Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate
J. Chem. Phys. 117, 7781–7787 (2002)
https://doi.org/10.1063/1.1508365
Landau model of the smectic –isotropic phase transition
J. Chem. Phys. 117, 7788–7792 (2002)
https://doi.org/10.1063/1.1509055
LETTERS TO THE EDITOR
Notes
Relativistic Gaussian basis sets for molecular calculations: Cs–Hg
J. Chem. Phys. 117, 7813–7814 (2002)
https://doi.org/10.1063/1.1508772
Errata
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Beyond the Debye–Hückel limit: Toward a general theory for concentrated electrolytes
Mohammadhasan Dinpajooh, Nadia N. Intan, et al.