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Tunable nano-wrinkling of chiral surfaces: Structure and diffraction optics
COMMUNICATIONS
Communication: On the difficulty of reproducibly measuring PbCl2 X-ray absorption spectra
J. Chem. Phys. 143, 111102 (2015)
https://doi.org/10.1063/1.4931404
Communication: Hole localization in Al-doped quartz SiO2 within ab initio hybrid-functional DFT
J. Chem. Phys. 143, 111103 (2015)
https://doi.org/10.1063/1.4931405
Communication: When does a branched polymer become a particle?
J. Chem. Phys. 143, 111104 (2015)
https://doi.org/10.1063/1.4931483
ARTICLES
Theoretical Methods and Algorithms
Shock melting method to determine melting curve by molecular dynamics: Cu, Pd, and Al
J. Chem. Phys. 143, 114101 (2015)
https://doi.org/10.1063/1.4930974
Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering
J. Chem. Phys. 143, 114103 (2015)
https://doi.org/10.1063/1.4930923
Ab initio two-component Ehrenfest dynamics
J. Chem. Phys. 143, 114105 (2015)
https://doi.org/10.1063/1.4930985
A simple extrapolation of thermodynamic perturbation theory to infinite order
J. Chem. Phys. 143, 114107 (2015)
https://doi.org/10.1063/1.4930610
Combined temperature and density series for fluid-phase properties. I. Square-well spheres
J. Chem. Phys. 143, 114110 (2015)
https://doi.org/10.1063/1.4930268
Singlet and triplet instability theorems
J. Chem. Phys. 143, 114112 (2015)
https://doi.org/10.1063/1.4929354
Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations
J. Chem. Phys. 143, 114113 (2015)
https://doi.org/10.1063/1.4930848
Wigner phase space distribution via classical adiabatic switching
J. Chem. Phys. 143, 114114 (2015)
https://doi.org/10.1063/1.4930271
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Morphological impact on the reaction kinetics of size-selected cobalt oxide nanoparticles
J. Chem. Phys. 143, 114301 (2015)
https://doi.org/10.1063/1.4930853
Relaxation channels of multi-photon excited xenon clusters
J. Chem. Phys. 143, 114302 (2015)
https://doi.org/10.1063/1.4930963
Negative ion properties of trans 2,2′,6,6′-tetrafluoroazobenzene: Experiment and theory
J. Chem. Phys. 143, 114303 (2015)
https://doi.org/10.1063/1.4930599
Electronic structures and geometries of the XF3 (X = Cl, Br, I, At) fluorides
J. Chem. Phys. 143, 114306 (2015)
https://doi.org/10.1063/1.4930609
Tin-carbon clusters and the onset of microscopic level immiscibility: Experimental and computational study
J. Chem. Phys. 143, 114307 (2015)
https://doi.org/10.1063/1.4930193
Autodetachment spectroscopy of the aluminum oxide anion dipole bound state
J. Chem. Phys. 143, 114311 (2015)
https://doi.org/10.1063/1.4931110
Understanding the conductance switching of permethyloligosilanes: A theoretical approach
J. Chem. Phys. 143, 114314 (2015)
https://doi.org/10.1063/1.4931400
Liquids, Glasses, and Crystals
Excitons and Davydov splitting in sexithiophene from first-principles many-body Green’s function theory
J. Chem. Phys. 143, 114501 (2015)
https://doi.org/10.1063/1.4930975
The Widom line and dynamical crossover in supercritical water: Popular water models versus experiments
J. Chem. Phys. 143, 114502 (2015)
https://doi.org/10.1063/1.4930542
Mechanisms of metastable states in CuZr systems with glass-like structures
J. Chem. Phys. 143, 114503 (2015)
https://doi.org/10.1063/1.4930596
Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes
J. Chem. Phys. 143, 114504 (2015)
https://doi.org/10.1063/1.4930138
Phase ordering of zig-zag and bow-shaped hard needles in two dimensions
J. Chem. Phys. 143, 114505 (2015)
https://doi.org/10.1063/1.4930886
Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics
J. Chem. Phys. 143, 114506 (2015)
https://doi.org/10.1063/1.4931031
Narayanaswamy’s 1971 aging theory and material time
J. Chem. Phys. 143, 114507 (2015)
https://doi.org/10.1063/1.4930551
Surfaces, Interfaces, and Materials
Tunable nano-wrinkling of chiral surfaces: Structure and diffraction optics
J. Chem. Phys. 143, 114701 (2015)
https://doi.org/10.1063/1.4929337
Solution and displacement in monolayer and multilayer binary films of SF6 and CF4 on graphite
J. Chem. Phys. 143, 114702 (2015)
https://doi.org/10.1063/1.4930852
Nonadiabatic dynamics in energetic negative fluorine ions scattering from a Si(100) surface
J. Chem. Phys. 143, 114703 (2015)
https://doi.org/10.1063/1.4930908
Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces
J. Chem. Phys. 143, 114704 (2015)
https://doi.org/10.1063/1.4930538
New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies
J. Chem. Phys. 143, 114707 (2015)
https://doi.org/10.1063/1.4931398
Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces
J. Chem. Phys. 143, 114709 (2015)
https://doi.org/10.1063/1.4931180
Suppressed thermal conductivity of ultrathin carbon nanotube(2, 1) upon hydrogenation
J. Chem. Phys. 143, 114710 (2015)
https://doi.org/10.1063/1.4931412
Polymers and Soft Matter
Local structure of temperature and pH-sensitive colloidal microgels
J. Chem. Phys. 143, 114904 (2015)
https://doi.org/10.1063/1.4930885
Generalized inverse patchy colloid model
J. Chem. Phys. 143, 114905 (2015)
https://doi.org/10.1063/1.4930600
Biological Molecules and Networks
How nanochannel confinement affects the DNA melting transition within the Poland-Scheraga model
J. Chem. Phys. 143, 115101 (2015)
https://doi.org/10.1063/1.4930220
