Skip Nav Destination
Issues
7 July 2014
ISSN 0021-9606
EISSN 1089-7690
ARTICLES
Theoretical Methods and Algorithms
An analytic mapping of oligomer potential energy surfaces to an effective Frenkel model
J. Chem. Phys. 141, 014101 (2014)
https://doi.org/10.1063/1.4880415
Lattice Boltzmann method for mixtures at variable Schmidt number
J. Chem. Phys. 141, 014102 (2014)
https://doi.org/10.1063/1.4885719
Polarizable molecular interactions in condensed phase and their equivalent nonpolarizable models
J. Chem. Phys. 141, 014103 (2014)
https://doi.org/10.1063/1.4884276
Analyzing the errors of DFT approximations for compressed water systems
J. Chem. Phys. 141, 014104 (2014)
https://doi.org/10.1063/1.4885440
Rates of exponential decay in systems of discrete energy levels by Stieltjes imaging
J. Chem. Phys. 141, 014105 (2014)
https://doi.org/10.1063/1.4884785
Understanding the many-body expansion for large systems. I. Precision considerations
J. Chem. Phys. 141, 014108 (2014)
https://doi.org/10.1063/1.4885846
Spin dynamics simulation of electron spin relaxation in Ni2 +(aq)
J. Chem. Phys. 141, 014109 (2014)
https://doi.org/10.1063/1.4885050
Principal component analysis of molecular dynamics: On the use of Cartesian vs. internal coordinates
J. Chem. Phys. 141, 014111 (2014)
https://doi.org/10.1063/1.4885338
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Photodissociation dynamics of superexcited O2: Dissociation channels O(5S) vs. O(3S)
J. Chem. Phys. 141, 014301 (2014)
https://doi.org/10.1063/1.4884906
Revisiting the relaxation dynamics of isolated pyrrole
J. Chem. Phys. 141, 014303 (2014)
https://doi.org/10.1063/1.4885722
Properties of reactive oxygen species by quantum Monte Carlo
J. Chem. Phys. 141, 014305 (2014)
https://doi.org/10.1063/1.4885144
Helium in chirped laser fields as a time-asymmetric atomic switch
J. Chem. Phys. 141, 014307 (2014)
https://doi.org/10.1063/1.4885136
Action spectroscopy of SrCl+ using an integrated ion trap time-of-flight mass spectrometer
J. Chem. Phys. 141, 014309 (2014)
https://doi.org/10.1063/1.4885363
First-principles prediction of the Raman shifts in parahydrogen clusters
J. Chem. Phys. 141, 014310 (2014)
https://doi.org/10.1063/1.4885275
Liquids, Glasses, and Crystals
Dynamics and spatial correlation of voids in dense two dimensional colloids
J. Chem. Phys. 141, 014502 (2014)
https://doi.org/10.1063/1.4885035
Deformation mechanisms during nanoindentation of sodium borosilicate glasses of nuclear interest
J. Chem. Phys. 141, 014504 (2014)
https://doi.org/10.1063/1.4885850
Surfaces, Interfaces, and Materials
Structure and energetics of hydrogen-bonded networks of methanol on close packed transition metal surfaces
Colin J. Murphy; Javier Carrasco; Timothy J. Lawton; Melissa L. Liriano; Ashleigh E. Baber; Emily A. Lewis; Angelos Michaelides; E. Charles H. Sykes
J. Chem. Phys. 141, 014701 (2014)
https://doi.org/10.1063/1.4882863
Phosphine-stabilised Au9 clusters interacting with titania and silica surfaces: The first evidence for the density of states signature of the support-immobilised cluster
Gunther G. Andersson; Vladimir B. Golovko; Jason F. Alvino; Trystan Bennett; Oliver Wrede; Sol M. Mejia; Hassan S. Al Qahtani; Rohul Adnan; Nathaniel Gunby; David P. Anderson; Gregory F. Metha
J. Chem. Phys. 141, 014702 (2014)
https://doi.org/10.1063/1.4884642
Hydrogen activation, diffusion, and clustering on CeO2(111): A DFT+U study
J. Chem. Phys. 141, 014703 (2014)
https://doi.org/10.1063/1.4885546
Equation of state for Eu-doped SrSi2O2N2
Olga Ermakova; Wojciech Paszkowicz; Agata Kaminska; Justyna Barzowska; Karol Szczodrowski; Marek Grinberg; Roman Minikayev; Małgorzata Nowakowska; Stefan Carlson; Guogang Li; Ru-Shi Liu; Andrzej Suchocki
J. Chem. Phys. 141, 014705 (2014)
https://doi.org/10.1063/1.4883502
Thermal resistance at an interface between a crystal and its melt
J. Chem. Phys. 141, 014706 (2014)
https://doi.org/10.1063/1.4885849
Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes
J. Chem. Phys. 141, 014707 (2014)
https://doi.org/10.1063/1.4886378
Polymers and Soft Matter
Gaussian semiflexible rings under angular and dihedral restrictions
J. Chem. Phys. 141, 014901 (2014)
https://doi.org/10.1063/1.4885445
A statistical theory of cosolvent-induced coil-globule transitions in dilute polymer solution
J. Chem. Phys. 141, 014902 (2014)
https://doi.org/10.1063/1.4884958
Biological Molecules and Networks
Spectrins in axonal cytoskeletons: Dynamics revealed by extensions and fluctuations
J. Chem. Phys. 141, 015101 (2014)
https://doi.org/10.1063/1.4885720
LETTERS TO THE EDITOR
Errata
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
A theory of pitch for the hydrodynamic properties of molecules, helices, and achiral swimmers at low Reynolds number
Anderson D. S. Duraes, J. Daniel Gezelter
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.