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COMMUNICATIONS
Communication: Correct charge transfer in CT complexes from the Becke’05 density functional
J. Chem. Phys. 148, 211101 (2018)
https://doi.org/10.1063/1.5039742
Communication: Anion-specific response of mesoscopic organization in ionic liquids upon pressurization
J. Chem. Phys. 148, 211102 (2018)
https://doi.org/10.1063/1.5036588
ARTICLES
Theoretical Methods and Algorithms
Gauge-origin dependence in electronic g-tensor calculations
J. Chem. Phys. 148, 214101 (2018)
https://doi.org/10.1063/1.5028454
A multiscale model for charge inversion in electric double layers
J. Chem. Phys. 148, 214102 (2018)
https://doi.org/10.1063/1.5026975
Multiconfigurational short-range density-functional theory for open-shell systems
J. Chem. Phys. 148, 214103 (2018)
https://doi.org/10.1063/1.5013306
Integral equation theory based direct and accelerated systematic coarse-graining approaches
J. Chem. Phys. 148, 214105 (2018)
https://doi.org/10.1063/1.5020321
Unbiased diffusion of Brownian particles in a helical tube
J. Chem. Phys. 148, 214106 (2018)
https://doi.org/10.1063/1.5030892
MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations
J. Chem. Phys. 148, 214107 (2018)
https://doi.org/10.1063/1.5020294
Atoms, Molecules, and Clusters
Abnormal blueshift of the absorption edge in graphene nanodots
J. Chem. Phys. 148, 214301 (2018)
https://doi.org/10.1063/1.5030756
Dissociation of dicyclohexyl phthalate molecule induced by low-energy electron impact
J. Chem. Phys. 148, 214305 (2018)
https://doi.org/10.1063/1.5026406
Photofragment imaging and electronic spectroscopy of Al2+
J. Chem. Phys. 148, 214308 (2018)
https://doi.org/10.1063/1.5034353
Absorption and luminescence spectroscopy of mass-selected flavin adenine dinucleotide mono-anions
J. Chem. Phys. 148, 214309 (2018)
https://doi.org/10.1063/1.5024028
Experimental and numerical investigation of a phase-only control mechanism in the linear intensity regime
J. Chem. Phys. 148, 214310 (2018)
https://doi.org/10.1063/1.5029805
Liquids, Glasses, and Crystals
Proton dynamics and the phase diagram of dense water ice
J. Chem. Phys. 148, 214501 (2018)
https://doi.org/10.1063/1.5028389
A characteristic energy scale in glasses
In Special Collection:
JCP Editors' Choice 2018
J. Chem. Phys. 148, 214502 (2018)
https://doi.org/10.1063/1.5024776
Chemical potential of a test hard sphere of variable size in hard-sphere fluid mixtures
J. Chem. Phys. 148, 214503 (2018)
https://doi.org/10.1063/1.5037856
Surfaces, Interfaces, and Materials
Diffusion of gas mixtures in the sI hydrate structure
J. Chem. Phys. 148, 214701 (2018)
https://doi.org/10.1063/1.5026385
Strain relaxation and epitaxial relationship of perylene overlayer on Ag(110)
J. Chem. Phys. 148, 214702 (2018)
https://doi.org/10.1063/1.5027724
Binding energies of benzene on coinage metal surfaces: Equal stability on different metals
J. Chem. Phys. 148, 214703 (2018)
https://doi.org/10.1063/1.5030094
Molecular dynamics simulation of the solid-liquid interface migration in terbium
J. Chem. Phys. 148, 214705 (2018)
https://doi.org/10.1063/1.5026922
Polymers and Soft Matter
Mechanical properties of drug loaded diblock copolymer bilayers: A molecular dynamics study
J. Chem. Phys. 148, 214901 (2018)
https://doi.org/10.1063/1.5028377
End-to-end distance and contour length distribution functions of DNA helices
J. Chem. Phys. 148, 214902 (2018)
https://doi.org/10.1063/1.5021639
Beating of grafted chains induced by active Brownian particles
J. Chem. Phys. 148, 214904 (2018)
https://doi.org/10.1063/1.5029967
Bernal stacking-assisted shear exfoliation of nanoplate bilayers
J. Chem. Phys. 148, 214905 (2018)
https://doi.org/10.1063/1.5029501
Biological Molecules and Networks
The geometry of protein hydration
J. Chem. Phys. 148, 215101 (2018)
https://doi.org/10.1063/1.5026744
Compressibility of the protein-water interface
J. Chem. Phys. 148, 215102 (2018)
https://doi.org/10.1063/1.5026774
How proteins modify water dynamics
J. Chem. Phys. 148, 215103 (2018)
https://doi.org/10.1063/1.5026861
The spatial range of protein hydration
In Special Collection:
JCP Editors' Choice 2018
J. Chem. Phys. 148, 215104 (2018)
https://doi.org/10.1063/1.5031005
