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Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
Inhomogeneous defect distribution of triangular WS2 monolayer revealed by surface-enhanced and tip-enhanced Raman and photoluminescence spectroscopy
New insights into methanol and formic acid electro-oxidation on Pt: Simultaneous DEMS and ATR-SEIRAS study under well-defined flow conditions and simulations of CO spectra
EDITORIALS
Polariton chemistry: Molecules in cavities and plasmonic media
In Special Collection:
Polariton Chemistry: Molecules in Cavities and Plasmonic Media
J. Chem. Phys. 156, 030401 (2022)
https://doi.org/10.1063/5.0080134
COMMUNICATIONS
Photoelectron circular dichroism of a model chiral anion
J. Chem. Phys. 156, 031101 (2022)
https://doi.org/10.1063/5.0079723
ARTICLES
Theoretical Methods and Algorithms
Space-warp coordinate transformation for efficient ionic force calculations in quantum Monte Carlo
In Special Collection:
Beyond GGA Total Energies for Solids and Surfaces
J. Chem. Phys. 156, 034101 (2022)
https://doi.org/10.1063/5.0076302
Liquid–gas critical point of a two-dimensional system of hard ellipses with attractive wells
J. Chem. Phys. 156, 034102 (2022)
https://doi.org/10.1063/5.0072522
Mean first-passage times for solvated LiCN isomerization at intermediate to high temperatures
J. Chem. Phys. 156, 034103 (2022)
https://doi.org/10.1063/5.0065090
Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics
J. Chem. Phys. 156, 034104 (2022)
https://doi.org/10.1063/5.0076609
Coarse-grained models for local density gradients
J. Chem. Phys. 156, 034106 (2022)
https://doi.org/10.1063/5.0075291
A multiple time step algorithm for trajectory surface hopping simulations
J. Chem. Phys. 156, 034107 (2022)
https://doi.org/10.1063/5.0065728
Solitonic natural orbitals in Coulombic systems
J. Chem. Phys. 156, 034108 (2022)
https://doi.org/10.1063/5.0075986
The symmetry-preserving mean field condition for electrostatic correlations in bulk
J. Chem. Phys. 156, 034111 (2022)
https://doi.org/10.1063/5.0078007
Advanced Experimental Techniques
Challenges on optical printing of colloidal nanoparticles
In Special Collection:
The Ever-Expanding Optics of Single-Molecules and Nanoparticles
J. Chem. Phys. 156, 034201 (2022)
https://doi.org/10.1063/5.0078454
Atoms, Molecules, and Clusters
Design of singlet fission chromophores by the introduction of N-oxyl fragments
In Special Collection:
Transport of Charge and Energy in Low-Dimensional Materials
J. Chem. Phys. 156, 034303 (2022)
https://doi.org/10.1063/5.0077010
Atomic isotropic hyperfine properties for first row elements (B–F) revisited
In Special Collection:
Nature of the Chemical Bond
J. Chem. Phys. 156, 034304 (2022)
https://doi.org/10.1063/5.0080155
Excitation dynamics in polyacene molecules on rare-gas clusters
J. Chem. Phys. 156, 034305 (2022)
https://doi.org/10.1063/5.0073503
Liquids, Glasses, and Crystals
Computing free energy barriers for the nucleation of complex network mesophases
J. Chem. Phys. 156, 034502 (2022)
https://doi.org/10.1063/5.0079396
Intermolecular correlations of liquid and glassy CS2 studied by synchrotron radiation x-ray diffraction
In Special Collection:
Slow Dynamics
J. Chem. Phys. 156, 034503 (2022)
https://doi.org/10.1063/5.0073210
Materials, Surfaces, and Interfaces
Element doping-induced effects in Zn-doped CdTe quantum-dot system: Insights from an ultrafast dynamics perspective
In Special Collection:
Transport of Charge and Energy in Low-Dimensional Materials
J. Chem. Phys. 156, 034701 (2022)
https://doi.org/10.1063/5.0078477
Inhomogeneous defect distribution of triangular WS2 monolayer revealed by surface-enhanced and tip-enhanced Raman and photoluminescence spectroscopy
In Special Collection:
Chemical Imaging
J. Chem. Phys. 156, 034702 (2022)
https://doi.org/10.1063/5.0078113
New insights into methanol and formic acid electro-oxidation on Pt: Simultaneous DEMS and ATR-SEIRAS study under well-defined flow conditions and simulations of CO spectra
In Special Collection:
The Chemical Physics of the Electrode-Electrolyte Interface
J. Chem. Phys. 156, 034703 (2022)
https://doi.org/10.1063/5.0071463
Probing ultrafast hot charge carrier migration in MoS2 embedded CdS nanorods
In Special Collection:
Transport of Charge and Energy in Low-Dimensional Materials
J. Chem. Phys. 156, 034704 (2022)
https://doi.org/10.1063/5.0074155
Polymers and Soft Matter
Toward single-molecule surface-enhanced Raman scattering with novel type of metasurfaces synthesized by crack-stretching of metallized track-etched membranes
In Special Collection:
The Ever-Expanding Optics of Single-Molecules and Nanoparticles
J. Chem. Phys. 156, 034902 (2022)
https://doi.org/10.1063/5.0078451
An exotic microstructured globular state formed by a single multiblock copolymer chain
J. Chem. Phys. 156, 034903 (2022)
https://doi.org/10.1063/5.0072568
Mixing-demixing transition and void formation in quasi-2D binary mixtures on a sphere
J. Chem. Phys. 156, 034904 (2022)
https://doi.org/10.1063/5.0080352
Biological Molecules and Networks
Molecular mechanisms of cardiac actomyosin transforming from rigor state to post-rigor state
J. Chem. Phys. 156, 035101 (2022)
https://doi.org/10.1063/5.0078166
