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Communication: Programmable self-assembly of thin-shell mesostructures
A transition-state based rotational sudden (TSRS) approximation for polyatomic reactive scattering
Resonant-convergent second-order nonlinear response functions at the levels of Hartree–Fock and Kohn–Sham density functional theory
Coherent laser-millimeter-wave interactions en route to coherent population transfer
Visualising crystal packing interactions in solid-state NMR: Concepts and applications
2D IR spectroscopy of high-pressure phases of ice
Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface
Multivalent cation induced attraction of anionic polymers by like-charged pores
COMMUNICATIONS
Communication: Relaxation-limited electronic currents in extended reservoir simulations
J. Chem. Phys. 147, 141102 (2017)
https://doi.org/10.1063/1.4997022
Communication: Programmable self-assembly of thin-shell mesostructures
J. Chem. Phys. 147, 141103 (2017)
https://doi.org/10.1063/1.4999654
ARTICLES
Theoretical Methods and Algorithms
Computing vibrational energy levels of CH4 with a Smolyak collocation method
J. Chem. Phys. 147, 144102 (2017)
https://doi.org/10.1063/1.4999153
Simplified expressions that incorporate finite pulse effects into coherent two-dimensional optical spectra
J. Chem. Phys. 147, 144103 (2017)
https://doi.org/10.1063/1.4985888
A transition-state based rotational sudden (TSRS) approximation for polyatomic reactive scattering
J. Chem. Phys. 147, 144104 (2017)
https://doi.org/10.1063/1.5003226
A study of accurate exchange-correlation functionals through adiabatic connection
J. Chem. Phys. 147, 144105 (2017)
https://doi.org/10.1063/1.4995698
An intrinsic representation of atomic structure: From clusters to periodic systems
J. Chem. Phys. 147, 144106 (2017)
https://doi.org/10.1063/1.4997292
Activity coefficients from molecular simulations using the OPAS method
J. Chem. Phys. 147, 144108 (2017)
https://doi.org/10.1063/1.4991498
Resonant-convergent second-order nonlinear response functions at the levels of Hartree–Fock and Kohn–Sham density functional theory
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 147, 144109 (2017)
https://doi.org/10.1063/1.4991616
Compressed representation of dispersion interactions and long-range electronic correlations
J. Chem. Phys. 147, 144110 (2017)
https://doi.org/10.1063/1.4997186
Effects of external electric field and anisotropic long-range reactivity on charge separation probability
J. Chem. Phys. 147, 144111 (2017)
https://doi.org/10.1063/1.5000882
Advanced Experimental Techniques
Coherent laser-millimeter-wave interactions en route to coherent population transfer
J. Chem. Phys. 147, 144201 (2017)
https://doi.org/10.1063/1.4997624
Visualising crystal packing interactions in solid-state NMR: Concepts and applications
J. Chem. Phys. 147, 144203 (2017)
https://doi.org/10.1063/1.4996750
Characterizing and optimizing a laser-desorption molecular beam source
J. Chem. Phys. 147, 144204 (2017)
https://doi.org/10.1063/1.4991639
Atoms, Molecules, and Clusters
The effects of halogen elements on the opening of an icosahedral B12 framework
J. Chem. Phys. 147, 144302 (2017)
https://doi.org/10.1063/1.4998948
Extracting spectroscopic molecular parameters from short pulse photo-electron angular distributions
J. Chem. Phys. 147, 144304 (2017)
https://doi.org/10.1063/1.4998818
Formic acid aggregation in 2D supersonic expansions probed by FTIR imaging
J. Chem. Phys. 147, 144305 (2017)
https://doi.org/10.1063/1.4989544
Liquids, Glasses, and Crystals
2D IR spectroscopy of high-pressure phases of ice
J. Chem. Phys. 147, 144501 (2017)
https://doi.org/10.1063/1.4993952
Structural evolution and atomic dynamics in Ni–Nb metallic glasses: A molecular dynamics study
J. Chem. Phys. 147, 144503 (2017)
https://doi.org/10.1063/1.4995006
Reorientation-induced spectral diffusion of non-isotropic orientation distributions
J. Chem. Phys. 147, 144504 (2017)
https://doi.org/10.1063/1.4993864
Controlling the crystal polymorph by exploiting the time dependence of nucleation rates
J. Chem. Phys. 147, 144505 (2017)
https://doi.org/10.1063/1.4993566
Surfaces, Interfaces, and Materials
Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 147, 144703 (2017)
https://doi.org/10.1063/1.4994635
Polymers and Soft Matter
Multivalent cation induced attraction of anionic polymers by like-charged pores
J. Chem. Phys. 147, 144901 (2017)
https://doi.org/10.1063/1.4994018
Two-dimensional mixture of amphiphilic dimers and spheres: Self-assembly behaviour
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 147, 144902 (2017)
https://doi.org/10.1063/1.4995549
Aggregation of flexible polyelectrolytes: Phase diagram and dynamics
J. Chem. Phys. 147, 144903 (2017)
https://doi.org/10.1063/1.4993684
