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Issues
28 February 2006
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
Recurrences in rotational dynamics and experimental measurement of superfluidity in doped helium clusters
J. Chem. Phys. 124, 081101 (2006)
https://doi.org/10.1063/1.2173640
Experimental determination of a spin-orbit interval in the state of
J. Chem. Phys. 124, 081102 (2006)
https://doi.org/10.1063/1.2172918
The spin-orbit and rotational constants for the state
J. Chem. Phys. 124, 081103 (2006)
https://doi.org/10.1063/1.2172919
Delocalized electron resonance at the alkanethiolate self-assembled interface
J. Chem. Phys. 124, 081104 (2006)
https://doi.org/10.1063/1.2171437
The structure of the cluster: A coupled cluster and multi-reference perturbation theory study
J. Chem. Phys. 124, 081105 (2006)
https://doi.org/10.1063/1.2176611
Renner-Teller nonadiabatic coupling terms: An ab-initio study of the molecule
J. Chem. Phys. 124, 081106 (2006)
https://doi.org/10.1063/1.2178789
ARTICLES
Theoretical Methods and Algorithms
Multiargument logical operations performed with excitable chemical medium
J. Chem. Phys. 124, 084101 (2006)
https://doi.org/10.1063/1.2170076
Path-integral virial estimator for reaction-rate calculation based on the quantum instanton approximation
J. Chem. Phys. 124, 084102 (2006)
https://doi.org/10.1063/1.2171693
Coupled-cluster theory in a projected atomic orbital basis
J. Chem. Phys. 124, 084103 (2006)
https://doi.org/10.1063/1.2173249
Gene regulatory networks: A coarse-grained, equation-free approach to multiscale computation
J. Chem. Phys. 124, 084106 (2006)
https://doi.org/10.1063/1.2149854
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Infrared laser spectroscopy of in helium nanodroplets: The exit-channel complex of the reaction
J. Chem. Phys. 124, 084301 (2006)
https://doi.org/10.1063/1.2168450
Photodissociation dynamics of pyrimidine
Ming-Fu Lin; Yuri A. Dyakov; Chien-Ming Tseng; Alexander M. Mebel; Sheng Hsien Lin; Yuan T. Lee; Chi-Kung Ni
J. Chem. Phys. 124, 084303 (2006)
https://doi.org/10.1063/1.2174011
Rotational spectroscopy and dipole moment of cis-cis HOONO and DOONO
J. Chem. Phys. 124, 084304 (2006)
https://doi.org/10.1063/1.2163341
Magic numbers, excitation levels, and other properties of small neutral clusters
J. Chem. Phys. 124, 084307 (2006)
https://doi.org/10.1063/1.2140723
Measurement of the electronic transition dipole moment by Autler-Townes splitting: Comparison of three- and four-level excitation schemes for the system
E. Ahmed; A. Hansson; P. Qi; T. Kirova; A. Lazoudis; S. Kotochigova; A. M. Lyyra; L. Li; J. Qi; S. Magnier
J. Chem. Phys. 124, 084308 (2006)
https://doi.org/10.1063/1.2164454
Potential energy surface, van der Waals motions, and vibronic transitions in phenol-argon complex
J. Chem. Phys. 124, 084310 (2006)
https://doi.org/10.1063/1.2173263
Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization
J. Chem. Phys. 124, 084313 (2006)
https://doi.org/10.1063/1.2171688
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
The structural properties of a two-Yukawa fluid: Simulation and analytical results
J. Chem. Phys. 124, 084501 (2006)
https://doi.org/10.1063/1.2166390
Thermodynamic and dynamic anomalies for a three-dimensional isotropic core-softened potential
J. Chem. Phys. 124, 084505 (2006)
https://doi.org/10.1063/1.2168458
Molecular theory of thermal conductivity of the Lennard-Jones fluid
J. Chem. Phys. 124, 084506 (2006)
https://doi.org/10.1063/1.2166394
Surfaces, Interfaces, and Materials
Air separation by single wall carbon nanotubes: Mass transport and kinetic selectivity
J. Chem. Phys. 124, 084702 (2006)
https://doi.org/10.1063/1.2166373
Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities
J. Chem. Phys. 124, 084704 (2006)
https://doi.org/10.1063/1.2161425
The role of molecular rotation in activated dissociative adsorption on metal surfaces
J. Chem. Phys. 124, 084706 (2006)
https://doi.org/10.1063/1.2171256
Polymers, Biopolymers, and Complex Systems
Structure, phase behavior, and inhomogeneous fluid properties of binary dendrimer mixtures
J. Chem. Phys. 124, 084901 (2006)
https://doi.org/10.1063/1.2172596
Molecular-dynamics simulations of the transport properties of a single polymer chain in two dimensions
J. Chem. Phys. 124, 084904 (2006)
https://doi.org/10.1063/1.2161197
Coupling nonpolar and polar solvation free energies in implicit solvent models
J. Chem. Phys. 124, 084905 (2006)
https://doi.org/10.1063/1.2171192
Adsorption of polymers on a brush: Tuning the order of the wetting phase transition
J. Chem. Phys. 124, 084907 (2006)
https://doi.org/10.1063/1.2172597
LETTERS TO THE EDITOR
Errata
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.