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COMMUNICATIONS
Evidence of defect-induced broadband light emission from 2D Ag–Bi double perovskites grown at liquid–liquid interfaces
In Special Collection:
2022 JCP Emerging Investigators Special Collection
J. Chem. Phys. 158, 011101 (2023)
https://doi.org/10.1063/5.0134568
Machine learning of double-valued nonadiabatic coupling vectors around conical intersections
In Special Collection:
Machine Learning Hits Molecular Simulations
J. Chem. Phys. 158, 011102 (2023)
https://doi.org/10.1063/5.0133191
ARTICLES
Theoretical Methods and Algorithms
Development of nonlocal kinetic-energy density functional for the hybrid QM/MM interaction
J. Chem. Phys. 158, 014102 (2023)
https://doi.org/10.1063/5.0128147
Accurate Hellmann–Feynman forces from density functional calculations with augmented Gaussian basis sets
J. Chem. Phys. 158, 014104 (2023)
https://doi.org/10.1063/5.0130668
Compact and complete description of non-Markovian dynamics
In Special Collection:
2022 JCP Emerging Investigators Special Collection
J. Chem. Phys. 158, 014105 (2023)
https://doi.org/10.1063/5.0132614
Thermoelectric transport properties of orthorhombic RbBaX (X = Sb, Bi) with strong anharmonicity
J. Chem. Phys. 158, 014107 (2023)
https://doi.org/10.1063/5.0135207
Weighted ensemble: Recent mathematical developments
J. Chem. Phys. 158, 014108 (2023)
https://doi.org/10.1063/5.0110873
Advanced Experimental Techniques
Enhanced molecular orientation via NIR-delay-THz scheme: Experimental results at room temperature
J. Chem. Phys. 158, 014201 (2023)
https://doi.org/10.1063/5.0132656
A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials
In Special Collection:
2022 JCP Emerging Investigators Special Collection
J. Chem. Phys. 158, 014202 (2023)
https://doi.org/10.1063/5.0134962
Low-frequency anharmonic couplings in crystalline bromoform: Theory
In Special Collection:
Celebrating 25 Years of Two-dimensional Infrared (2D IR) Spectroscopy
J. Chem. Phys. 158, 014203 (2023)
https://doi.org/10.1063/5.0134278
Theoretical analysis of flow effects in spatially encoded diffusion NMR
J. Chem. Phys. 158, 014204 (2023)
https://doi.org/10.1063/5.0130125
Atoms, Molecules, and Clusters
Excitation and fragmentation of the dielectric gas C4F7N: Electrons vs photons
J. Chem. Phys. 158, 014303 (2023)
https://doi.org/10.1063/5.0130216
Charge transfer in sodium iodide collisions
J. Chem. Phys. 158, 014305 (2023)
https://doi.org/10.1063/5.0131749
Single atom alloy clusters Agn−1X− (X = Cu, Au; n = 7–20) reacting with O2: Symmetry-adapted orbital model
J. Chem. Phys. 158, 014306 (2023)
https://doi.org/10.1063/5.0124095
Liquids, Glasses, and Crystals
Microscopic observation of two-level systems in a metallic glass model
J. Chem. Phys. 158, 014501 (2023)
https://doi.org/10.1063/5.0128820
Materials, Surfaces, and Interfaces
Inducing SERS activity at graphitic carbon using graphene-covered Ag nanoparticle substrates: Spectroelectrochemical analysis of a redox-active adsorbed anthraquinone
In Special Collection:
In situ and Operando Characterization
J. Chem. Phys. 158, 014701 (2023)
https://doi.org/10.1063/5.0130876
Diameter-dependent ultrafast lithium-ion transport in carbon nanotubes
In Special Collection:
Chemical Physics of Electrochemical Energy Materials
J. Chem. Phys. 158, 014702 (2023)
https://doi.org/10.1063/5.0131408
Computational description of surface hydride phases on Pt(111) electrodes
In Special Collection:
Chemical Physics of Electrochemical Energy Materials
J. Chem. Phys. 158, 014703 (2023)
https://doi.org/10.1063/5.0125436
Polymers and Soft Matter
Computational design of anisotropic nanocomposite actuators
In Special Collection:
2022 JCP Emerging Investigators Special Collection
J. Chem. Phys. 158, 014901 (2023)
https://doi.org/10.1063/5.0129105
Topological origins of yielding in short-ranged weakly attractive colloidal gels
In Special Collection:
Colloidal Gels
J. Chem. Phys. 158, 014903 (2023)
https://doi.org/10.1063/5.0123096
Polyelectrolyte complexation of two oppositely charged symmetric polymers: A minimal theory
J. Chem. Phys. 158, 014904 (2023)
https://doi.org/10.1063/5.0128904
Polymorphic protein phase transitions driven by surface anisotropy
J. Chem. Phys. 158, 014905 (2023)
https://doi.org/10.1063/5.0125452
Biological Molecules and Networks
Locating dynamic contributions to allostery via determining rates of vibrational energy transfer
In Special Collection:
New Views of Allostery
J. Chem. Phys. 158, 015101 (2023)
https://doi.org/10.1063/5.0132089
The protein escape process at the ribosomal exit tunnel has conserved mechanisms across the domains of life
J. Chem. Phys. 158, 015102 (2023)
https://doi.org/10.1063/5.0129532
