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Perspective: Aerosol microphysics: From molecules to the chemical physics of
aerosols
Vibrational relaxation at a metal surface: Electronic friction versus classical master equations
Accelerated path-integral simulations using ring-polymer interpolation
Finite-size corrections in simulation of dipolar fluids
Mixed quantum/semiclassical wave-packet dynamical method for condensed-phase molecular spectroscopy signals
Aging near rough and smooth boundaries in colloidal glasses
Characterizing the geometric and electronic structure of defects in the “29” copper surface oxide
PERSPECTIVES
Perspective: Aerosol microphysics: From molecules to the chemical physics of
aerosols
J. Chem. Phys. 147, 220901 (2017)
https://doi.org/10.1063/1.5002641
COMMUNICATIONS
Communication: The failure of correlation to describe carbon=carbon bonding in out-of-plane bends
J. Chem. Phys. 147, 221101 (2017)
https://doi.org/10.1063/1.5013026
ARTICLES
Theoretical Methods and Algorithms
Adiabatic perturbation theory for atoms and molecules in the low-frequency regime
J. Chem. Phys. 147, 224101 (2017)
https://doi.org/10.1063/1.5001866
Testing the mutual information expansion of entropy with multivariate Gaussian distributions
J. Chem. Phys. 147, 224102 (2017)
https://doi.org/10.1063/1.4996847
Complex band structure and electronic transmission eigenchannels
J. Chem. Phys. 147, 224104 (2017)
https://doi.org/10.1063/1.5016179
Vibrational relaxation at a metal surface: Electronic friction versus classical master equations
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 147, 224105 (2017)
https://doi.org/10.1063/1.5000237
A new generation of effective core potentials for correlated calculations
J. Chem. Phys. 147, 224106 (2017)
https://doi.org/10.1063/1.4995643
Accelerated path-integral simulations using ring-polymer interpolation
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 147, 224107 (2017)
https://doi.org/10.1063/1.5006465
Computation of forces arising from the polarizable continuum model within the domain-decomposition paradigm
J. Chem. Phys. 147, 224108 (2017)
https://doi.org/10.1063/1.5008329
Nonequilibrium Green’s function theory for nonadiabatic effects in quantum electron transport
J. Chem. Phys. 147, 224109 (2017)
https://doi.org/10.1063/1.5007071
Finite-size corrections in simulation of dipolar fluids
J. Chem. Phys. 147, 224110 (2017)
https://doi.org/10.1063/1.5005912
General application of Tolman’s concept of activation energy
J. Chem. Phys. 147, 224111 (2017)
https://doi.org/10.1063/1.5009751
Mixed quantum/semiclassical wave-packet dynamical method for condensed-phase molecular spectroscopy signals
J. Chem. Phys. 147, 224112 (2017)
https://doi.org/10.1063/1.5003386
Atoms, Molecules, and Clusters
Quantum control of coherent -electron ring currents in polycyclic aromatic hydrocarbons
J. Chem. Phys. 147, 224301 (2017)
https://doi.org/10.1063/1.5004504
Transport coefficients of helium-neon mixtures at low density computed from ab initio potentials
J. Chem. Phys. 147, 224302 (2017)
https://doi.org/10.1063/1.5001711
Photoelectron angular distributions from rotationally resolved autoionizing states of N2
J. Chem. Phys. 147, 224303 (2017)
https://doi.org/10.1063/1.5004538
Spectroscopy of N,N-dimethylformamide in the VUV and IR regions: Experimental and computational studies
J. Chem. Phys. 147, 224305 (2017)
https://doi.org/10.1063/1.5006126
Analysis of X-ray adsorption edges: L2,3 edge of FeCl4−
J. Chem. Phys. 147, 224306 (2017)
https://doi.org/10.1063/1.5006223
Construction of diabatic energy surfaces for LiFH with artificial neural networks
J. Chem. Phys. 147, 224307 (2017)
https://doi.org/10.1063/1.5007031
Liquids, Glasses, and Crystals
Nonlinear dielectric features of highly polar glass formers: Derivatives of propylene carbonate
J. Chem. Phys. 147, 224501 (2017)
https://doi.org/10.1063/1.5003813
Microstructures and dynamics of tetraalkylphosphonium chloride ionic liquids
J. Chem. Phys. 147, 224502 (2017)
https://doi.org/10.1063/1.4995003
Another resolution of the configurational entropy paradox as applied to hard spheres
J. Chem. Phys. 147, 224503 (2017)
https://doi.org/10.1063/1.4999483
Aging near rough and smooth boundaries in colloidal glasses
J. Chem. Phys. 147, 224505 (2017)
https://doi.org/10.1063/1.5000445
Surfaces, Interfaces, and Materials
Synthesis of complex organic molecules in simulated methane rich astrophysical ices
J. Chem. Phys. 147, 224704 (2017)
https://doi.org/10.1063/1.5003898
Molecular modeling of the microstructure evolution during carbon fiber processing
J. Chem. Phys. 147, 224705 (2017)
https://doi.org/10.1063/1.5000911
Characterizing the geometric and electronic structure of defects in the “29” copper surface oxide
J. Chem. Phys. 147, 224706 (2017)
https://doi.org/10.1063/1.4996729
Polymers and Soft Matter
Ordering nanoparticles with polymer brushes
J. Chem. Phys. 147, 224901 (2017)
https://doi.org/10.1063/1.5006048
Generalization of the swelling method to measure the intrinsic curvature of lipids
J. Chem. Phys. 147, 224902 (2017)
https://doi.org/10.1063/1.5001858
Cholesteric and screw-like nematic phases in systems of helical particles
J. Chem. Phys. 147, 224903 (2017)
https://doi.org/10.1063/1.4996610
Connectedness percolation of hard deformed rods
J. Chem. Phys. 147, 224904 (2017)
https://doi.org/10.1063/1.5006380
Motion of a Janus particle very near a wall
J. Chem. Phys. 147, 224906 (2017)
https://doi.org/10.1063/1.4994843
Biological Molecules and Networks
Propensity of a single-walled carbon nanotube-peptide to mimic a KK10 peptide in an HLA-TCR complex
J. Chem. Phys. 147, 225101 (2017)
https://doi.org/10.1063/1.4996374
Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNA
J. Chem. Phys. 147, 225102 (2017)
https://doi.org/10.1063/1.4991862
Dissociation of biomolecules in liquid environments during fast heavy-ion irradiation
J. Chem. Phys. 147, 225103 (2017)
https://doi.org/10.1063/1.5009367
LETTERS TO THE EDITOR
Notes
Note: Ultraviolet photodissociation dynamics of o-bromofluorobenzene in 234–267 nm
J. Chem. Phys. 147, 226101 (2017)
https://doi.org/10.1063/1.5007129
