Skip Nav Destination
Issues
21 June 2014
ISSN 0021-9606
EISSN 1089-7690
COMMUNICATIONS
Communication: Direct measurements of nascent O(3P0,1,2) fine-structure distributions and branching ratios of correlated spin-orbit resolved product channels CO(ã3Π; v) + O(3P0,1,2) and CO(|$\tilde X{}^1\Sigma ^ + $|; v) + O(3P0,1,2) in VUV photodissociation of CO2
J. Chem. Phys. 140, 231101 (2014)
https://doi.org/10.1063/1.4883515
Communication: Ultrafast homonuclear correlation spectroscopy with diagonal suppression
J. Chem. Phys. 140, 231103 (2014)
https://doi.org/10.1063/1.4884385
ARTICLES
Theoretical Methods and Algorithms
An improved DNA force field for ssDNA interactions with gold nanoparticles
J. Chem. Phys. 140, 234102 (2014)
https://doi.org/10.1063/1.4882657
Configuration interaction wave functions: A seniority number approach
J. Chem. Phys. 140, 234103 (2014)
https://doi.org/10.1063/1.4882881
Fast and anisotropic flexibility-rigidity index for protein flexibility and fluctuation analysis
J. Chem. Phys. 140, 234105 (2014)
https://doi.org/10.1063/1.4882258
Correlation correction to configuration interaction singles from coupled cluster perturbation theory
J. Chem. Phys. 140, 234108 (2014)
https://doi.org/10.1063/1.4883741
Extension and evaluation of the multilevel summation method for fast long-range electrostatics calculations
J. Chem. Phys. 140, 234112 (2014)
https://doi.org/10.1063/1.4883695
Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model
J. Chem. Phys. 140, 234113 (2014)
https://doi.org/10.1063/1.4883737
Dynamic density functional theory with hydrodynamic interactions and fluctuations
J. Chem. Phys. 140, 234115 (2014)
https://doi.org/10.1063/1.4883520
How to remove the spurious resonances from ring polymer molecular dynamics
J. Chem. Phys. 140, 234116 (2014)
https://doi.org/10.1063/1.4883861
Advanced Experimental Techniques
Measuring chirality in NMR in the presence of a time-dependent electric field
J. Chem. Phys. 140, 234201 (2014)
https://doi.org/10.1063/1.4882698
Atoms, Molecules, and Clusters
Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system
J. Chem. Phys. 140, 234301 (2014)
https://doi.org/10.1063/1.4881896
Investigation of 3-fragment photodissociation of O3 at 193.4 and 157.6 nm by coincident measurements
J. Chem. Phys. 140, 234304 (2014)
https://doi.org/10.1063/1.4882644
Dynamics of heavy-Rydberg ion-pair formation in K(14p,20p)-SF6, CCl4 collisions
J. Chem. Phys. 140, 234306 (2014)
https://doi.org/10.1063/1.4882659
Interaction of single quantum emitter and dark plasmon supported by a metal nanoring
J. Chem. Phys. 140, 234311 (2014)
https://doi.org/10.1063/1.4883835
Liquids, Glasses, and Crystals
Non-equilibrium dynamics of glass-forming liquid mixtures
J. Chem. Phys. 140, 234501 (2014)
https://doi.org/10.1063/1.4882356
Hydration dynamics of aqueous glucose probed with polarization-resolved fs-IR spectroscopy
J. Chem. Phys. 140, 234503 (2014)
https://doi.org/10.1063/1.4882697
Thermodynamic of fluids from a general equation of state: The molecular discrete perturbation theory
J. Chem. Phys. 140, 234504 (2014)
https://doi.org/10.1063/1.4882897
Structural heterogeneities at the origin of acoustic and transport anomalies in glycerol glass-former
J. Chem. Phys. 140, 234505 (2014)
https://doi.org/10.1063/1.4883504
Curvature induced phase stability of an intensely heated liquid
J. Chem. Phys. 140, 234506 (2014)
https://doi.org/10.1063/1.4883516
Surfaces, Interfaces, and Materials
Electron transport in pure and substituted iron oxyhydroxides by small-polaron migration
J. Chem. Phys. 140, 234701 (2014)
https://doi.org/10.1063/1.4882065
Half-metallicity modulation of hybrid BN-C nanotubes by external electric fields: A first-principles study
J. Chem. Phys. 140, 234702 (2014)
https://doi.org/10.1063/1.4882286
Pressure effect on elastic anisotropy of crystals from ab initio simulations: The case of silicate garnets
J. Chem. Phys. 140, 234703 (2014)
https://doi.org/10.1063/1.4882699
Effects of discreteness of surface charges on the effective electrostatic interactions
J. Chem. Phys. 140, 234704 (2014)
https://doi.org/10.1063/1.4881601
Desorption of oxygen from alloyed Ag/Pt(111)
J. Chem. Phys. 140, 234705 (2014)
https://doi.org/10.1063/1.4882906
Understanding the amorphous-to-microcrystalline silicon transition in SiF4/H2/Ar gas mixtures
J. Chem. Phys. 140, 234706 (2014)
https://doi.org/10.1063/1.4883503
Charge transfer from an adsorbed ruthenium-based photosensitizer through an ultra-thin aluminium oxide layer and into a metallic substrate
Andrew J. Gibson; Robert H. Temperton; Karsten Handrup; Matthew Weston; Louise C. Mayor; James N. O’Shea
J. Chem. Phys. 140, 234708 (2014)
https://doi.org/10.1063/1.4882867
Polymers and Soft Matter
Integral equation theory for atactic polystyrene nanocomposite melts with a multi-site model
J. Chem. Phys. 140, 234901 (2014)
https://doi.org/10.1063/1.4882355
Adsorption-induced changes of the structure of the tethered chain layers in a simple fluid
J. Chem. Phys. 140, 234904 (2014)
https://doi.org/10.1063/1.4883336
Biological Molecules and Networks
A nucleotide-level coarse-grained model of RNA
J. Chem. Phys. 140, 235102 (2014)
https://doi.org/10.1063/1.4881424
Vibrational dynamics of thiocyanate and selenocyanate bound to horse heart myoglobin
J. Chem. Phys. 140, 235104 (2014)
https://doi.org/10.1063/1.4883505
2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel
Ayanjeet Ghosh; Jun Wang; Yurii S. Moroz; Ivan V. Korendovych; Martin Zanni; William F. DeGrado; Feng Gai; Robin M. Hochstrasser
J. Chem. Phys. 140, 235105 (2014)
https://doi.org/10.1063/1.4881188
LETTERS TO THE EDITOR
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.