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Issues
28 June 2009
ISSN 0021-9606
EISSN 1089-7690
In this Issue
COMMUNICATIONS
ARTICLES
Theoretical Methods and Algorithms
Relativistic, QED, and nuclear mass effects in the magnetic shielding of
J. Chem. Phys. 130, 244102 (2009)
https://doi.org/10.1063/1.3159674
Variable Lieb–Oxford bound satisfaction in a generalized gradient exchange-correlation functional
J. Chem. Phys. 130, 244103 (2009)
https://doi.org/10.1063/1.3152713
A new class of highly efficient exact stochastic simulation algorithms for chemical reaction networks
J. Chem. Phys. 130, 244104 (2009)
https://doi.org/10.1063/1.3154624
Relationships between the third-order reactivity indicators in chemical density-functional theory
J. Chem. Phys. 130, 244105 (2009)
https://doi.org/10.1063/1.3151599
From power law intermittence to macroscopic coherent regime
J. Chem. Phys. 130, 244106 (2009)
https://doi.org/10.1063/1.3156807
Transition state-finding strategies for use with the growing string method
J. Chem. Phys. 130, 244108 (2009)
https://doi.org/10.1063/1.3156312
Electronic structure and molecular dynamics of breaking the RO–NO2 bond
J. Chem. Phys. 130, 244110 (2009)
https://doi.org/10.1063/1.3155081
Analytic dynamics of the Morse oscillator derived by semiclassical closures
J. Chem. Phys. 130, 244111 (2009)
https://doi.org/10.1063/1.3154143
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
The dynamics of the reaction on an interpolated potential energy surface
J. Chem. Phys. 130, 244302 (2009)
https://doi.org/10.1063/1.3156805
On the accuracy of thermionic electron emission models. I. Electron detachment from
J. Chem. Phys. 130, 244303 (2009)
https://doi.org/10.1063/1.3149782
Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: Application to polycyclic aromatic hydrocarbon clusters
Mathias Rapacioli; Fernand Spiegelman; Dahbia Talbi; Tzonka Mineva; Annick Goursot; Thomas Heine; Gotthard Seifert
J. Chem. Phys. 130, 244304 (2009)
https://doi.org/10.1063/1.3152882
Ab initio study of methyl-bromide photodissociation in the band
J. Chem. Phys. 130, 244305 (2009)
https://doi.org/10.1063/1.3154140
Ab initio study of valence and Rydberg states of
J. Chem. Phys. 130, 244306 (2009)
https://doi.org/10.1063/1.3152865
Theoretical investigation of the states of dissociating adiabatically up to
J. Chem. Phys. 130, 244307 (2009)
https://doi.org/10.1063/1.3158361
Slow photoelectron velocity-map imaging spectroscopy of the vinoxide anion
J. Chem. Phys. 130, 244309 (2009)
https://doi.org/10.1063/1.3157208
Temperature dependence of reactions involving electron transfer in collisions
J. Chem. Phys. 130, 244311 (2009)
https://doi.org/10.1063/1.3158604
Vibration energy levels of the , , and molecules calculated from high order potential energy surface
J. Chem. Phys. 130, 244312 (2009)
https://doi.org/10.1063/1.3156311
Chirped pulse multiphoton ionization of nitrogen: Control of selective rotational excitation in
J. Chem. Phys. 130, 244313 (2009)
https://doi.org/10.1063/1.3158603
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Nonequilibrium Green’s function study on the electronic structure and transportation behavior of the conjugated molecular junction: Terminal connections and intramolecular connections
Hongmei Liu; Wenbin Ni; Jianwei Zhao; Nan Wang; Yan Guo; Tetsuya Taketsugu; Manabu Kiguchi; Kei Murakoshi
J. Chem. Phys. 130, 244501 (2009)
https://doi.org/10.1063/1.3151682
Predicted bound states and microwave spectrum of van der Waals complexes
J. Chem. Phys. 130, 244503 (2009)
https://doi.org/10.1063/1.3157776
Minimum free-energy path of homogenous nucleation from the phase-field equation
J. Chem. Phys. 130, 244507 (2009)
https://doi.org/10.1063/1.3158471
Surfaces, Interfaces, and Materials
A molecular dynamics study of chirality transfer from chiral surfaces to nearby solvent
J. Chem. Phys. 130, 244701 (2009)
https://doi.org/10.1063/1.3152332
Mesoscopic simulations of the counterion-induced electro-osmotic flow: A comparative study
J. Chem. Phys. 130, 244702 (2009)
https://doi.org/10.1063/1.3152844
Silicon carbide nanostructures: A tight binding approach
J. Chem. Phys. 130, 244704 (2009)
https://doi.org/10.1063/1.3157282
Self-diffusion and macroscopic diffusion of hydrogen in amorphous metals from first-principles calculations
J. Chem. Phys. 130, 244705 (2009)
https://doi.org/10.1063/1.3158619
Adsorption and diffusion of Au atoms on the (001) surface of Ti, Zr, Hf, V, Nb, Ta, and Mo carbides
J. Chem. Phys. 130, 244706 (2009)
https://doi.org/10.1063/1.3158620
Polymers and Complex Systems
Structure and interaction of flexible dendrimers in concentrated solution
J. Chem. Phys. 130, 244901 (2009)
https://doi.org/10.1063/1.3155208
Theoretical study of solvent effects on the coil-globule transition
J. Chem. Phys. 130, 244902 (2009)
https://doi.org/10.1063/1.3153350
Microcanonical analysis of adsorption of homopolymer chain on a surface
J. Chem. Phys. 130, 244905 (2009)
https://doi.org/10.1063/1.3157255
Biological Molecules, Biopolymers, and Biological Systems
The interactions between surfactants and vesicles: Dissipative particle dynamics
J. Chem. Phys. 130, 245101 (2009)
https://doi.org/10.1063/1.3155209
LETTERS TO THE EDITOR
Comments
Errata
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Rubber wear: Experiment and theory
B. N. J. Persson, R. Xu, et al.