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Mesomorphology of clathrate hydrates from molecular ordering
Temperature and pressure-induced excitation-dependent emissions in zero-dimensional hybrid metal halides with mixed halogens
Radiationless decay spectrum of O 1s double core holes in liquid water
On the selective formation of cubic tetrastack crystals from tetravalent patchy particles
PERSPECTIVES
Mesomorphology of clathrate hydrates from molecular ordering
In Special Collection:
Porous Solids for Energy Applications
J. Chem. Phys. 160, 190901 (2024)
https://doi.org/10.1063/5.0200516
COMMUNICATIONS
Temperature and pressure-induced excitation-dependent emissions in zero-dimensional hybrid metal halides with mixed halogens
In Special Collection:
Light-matter Interaction at the Nano and Molecular Scale
J. Chem. Phys. 160, 191101 (2024)
https://doi.org/10.1063/5.0205703
Isotope effect on the anomalies of water: A corresponding states analysis
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 191102 (2024)
https://doi.org/10.1063/5.0205452
ARTICLES
Theoretical Methods and Algorithms
Semiclassical analytic theory of electronic energy transfer in 3D atomic collisions
J. Chem. Phys. 160, 194101 (2024)
https://doi.org/10.1063/5.0209058
Acetonitrile real gas phase behavior from quasi-ideal gas to nanodroplets: A microscopical view
J. Chem. Phys. 160, 194102 (2024)
https://doi.org/10.1063/5.0199627
FROG: Exploiting all-atom molecular dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton’s QM/MM polarizable embedding scheme
In Special Collection:
Modular and Interoperable Software for Chemical Physics
J. Chem. Phys. 160, 194103 (2024)
https://doi.org/10.1063/5.0203424
X marks the spot: Accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data
In Special Collection:
Monte Carlo methods, 70 years after Metropolis et al. (1953)
J. Chem. Phys. 160, 194104 (2024)
https://doi.org/10.1063/5.0206478
Exactly solvable Hamiltonian fragments obtained from a direct sum of Lie algebras
J. Chem. Phys. 160, 194107 (2024)
https://doi.org/10.1063/5.0207195
Atoms, Molecules, and Clusters
Terahertz fingerprint reveals the effect of alcohols on sodium ions hydration shell
J. Chem. Phys. 160, 194303 (2024)
https://doi.org/10.1063/5.0205781
Investigation of ultrafast intermediate states during singlet fission in lycopene H-aggregate using femtosecond stimulated Raman spectroscopy
In Special Collection:
Light-matter Interaction at the Nano and Molecular Scale
J. Chem. Phys. 160, 194304 (2024)
https://doi.org/10.1063/5.0200802
Molecular heat transport across a time-periodic temperature gradient
J. Chem. Phys. 160, 194305 (2024)
https://doi.org/10.1063/5.0204819
Intramolecular singlet fission: Quantum dynamical simulations including the effect of the laser field
J. Chem. Phys. 160, 194306 (2024)
https://doi.org/10.1063/5.0209546
Liquids, Glasses, and Crystals
Microscopic pathways of transition from low-density to high-density amorphous phase of water
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 194501 (2024)
https://doi.org/10.1063/5.0206489
The re-entrant transition from the molecular to atomic phases of dense fluids: The case of hydrogen
J. Chem. Phys. 160, 194502 (2024)
https://doi.org/10.1063/5.0203884
Radiationless decay spectrum of O 1s double core holes in liquid water
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 194503 (2024)
https://doi.org/10.1063/5.0205994
The impact of alcohol and ammonium fluoride on pressure-induced amorphization of cubic structure I clathrate hydrates
In Special Collection:
Porous Solids for Energy Applications
J. Chem. Phys. 160, 194504 (2024)
https://doi.org/10.1063/5.0203916
Multiscale approach to the theory of nonisothermal homogeneous nucleation
J. Chem. Phys. 160, 194505 (2024)
https://doi.org/10.1063/5.0198471
Unraveling the dynamic slowdown in supercooled water: The role of dynamic disorder in jump motions
J. Chem. Phys. 160, 194506 (2024)
https://doi.org/10.1063/5.0209713
Isotope effects in supercooled H2O and D2O and a corresponding-states-like rescaling of the temperature and pressure
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 194508 (2024)
https://doi.org/10.1063/5.0207719
Materials, Surfaces, and Interfaces
Does the ionic distribution in the electrical double layer modify second harmonic scattering?
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 194702 (2024)
https://doi.org/10.1063/5.0198247
Interface-modulated kinetic differentials in electron and hole transfer rates as a key design principle for redox photocatalysis by Sb2VO5/QD heterostructures
In Special Collection:
Festschrift in honor of Louis E. Brus
J. Chem. Phys. 160, 194703 (2024)
https://doi.org/10.1063/5.0201550
Hydrodynamic slip characteristics of shear-driven water flow in nanoscale carbon slits
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 194704 (2024)
https://doi.org/10.1063/5.0197271
The initial sticking of high velocity water onto graphite under non-equilibrium supersonic flow conditions
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 194705 (2024)
https://doi.org/10.1063/5.0205984
Enhancement of bubble transport in porous electrodes and catalysts
J. Chem. Phys. 160, 194706 (2024)
https://doi.org/10.1063/5.0206381
On the selective formation of cubic tetrastack crystals from tetravalent patchy particles
J. Chem. Phys. 160, 194707 (2024)
https://doi.org/10.1063/5.0200193
First-principles thermodynamic investigation on the α phases in TiO and TiNb binary system
J. Chem. Phys. 160, 194709 (2024)
https://doi.org/10.1063/5.0203644
Ultra-flat bands at large twist angles in group-V twisted bilayer materials
J. Chem. Phys. 160, 194710 (2024)
https://doi.org/10.1063/5.0197757
Polymers and Soft Matter
Shaping membrane vesicles by adsorption of hinge-like nanoparticles
J. Chem. Phys. 160, 194901 (2024)
https://doi.org/10.1063/5.0204225
Field-driven polyelectrolyte–polymer collisions in nanochannels
J. Chem. Phys. 160, 194902 (2024)
https://doi.org/10.1063/5.0195302
Experimental and theoretical studies on the compatibility of DNTF and typical hydrocarbon polymer binders
J. Chem. Phys. 160, 194903 (2024)
https://doi.org/10.1063/5.0205073
Two co-existing and opposing mechanisms of proton transfer in one-dimensional open-end water chains
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 160, 194904 (2024)
https://doi.org/10.1063/5.0204275
