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A microwell array-based approach for studying single nanoparticle catalysis with high turnover frequency
Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3
COMMUNICATIONS
A microwell array-based approach for studying single nanoparticle catalysis with high turnover frequency
In Special Collection:
Chemical Imaging
J. Chem. Phys. 155, 071101 (2021)
https://doi.org/10.1063/5.0058402
Modulation of π-stacking modes and photophysical properties of an organic semiconductor through isosteric cocrystallization
In Special Collection:
2021 JCP Emerging Investigators Special Collection
J. Chem. Phys. 155, 071102 (2021)
https://doi.org/10.1063/5.0059770
Active orbital preservation for multiconfigurational self-consistent field
J. Chem. Phys. 155, 071103 (2021)
https://doi.org/10.1063/5.0058673
Quantum nature of molecular vibrational quenching: Water–molecular hydrogen collisions
J. Chem. Phys. 155, 071104 (2021)
https://doi.org/10.1063/5.0058755
ARTICLES
Theoretical Methods and Algorithms
Theory of molecular emission power spectra. II. Angle, frequency, and distance dependence of electromagnetic environment factor of a molecular emitter in plasmonic environments
In Special Collection:
2021 JCP Emerging Investigators Special Collection
J. Chem. Phys. 155, 074101 (2021)
https://doi.org/10.1063/5.0057018
Density functional theory of superfluid helium at finite temperatures
J. Chem. Phys. 155, 074102 (2021)
https://doi.org/10.1063/5.0060132
A modified nudged elastic band algorithm with adaptive spring lengths
J. Chem. Phys. 155, 074103 (2021)
https://doi.org/10.1063/5.0059593
Unified treatment of scattering, absorption, and luminescence spectra from a plasmon–exciton hybrid by temporal coupled-mode theory
In Special Collection:
Polariton Chemistry: Molecules in Cavities and Plasmonic Media
J. Chem. Phys. 155, 074104 (2021)
https://doi.org/10.1063/5.0059816
Re-integration with anchor points algorithm for ab initio molecular dynamics
J. Chem. Phys. 155, 074106 (2021)
https://doi.org/10.1063/5.0051079
Atoms, Molecules, and Clusters
The doping engineering and crystal structure of rod-like Au8Ag17 nanoclusters
In Special Collection:
From Atom-Precise Nanoclusters to Superatom Materials
J. Chem. Phys. 155, 074301 (2021)
https://doi.org/10.1063/5.0060292
Deciphering the dual emission in the photoluminescence of Au14Cd(SR)12: A theoretical study using TDDFT and TDDFT + TB
In Special Collection:
From Atom-Precise Nanoclusters to Superatom Materials
J. Chem. Phys. 155, 074302 (2021)
https://doi.org/10.1063/5.0057079
Liquids, Glasses, and Crystals
Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3
In Special Collection:
JCP Editors' Choice 2021
J. Chem. Phys. 155, 074501 (2021)
https://doi.org/10.1063/5.0049399
Does mesoscopic elasticity control viscous slowing down in glassforming liquids?
J. Chem. Phys. 155, 074502 (2021)
https://doi.org/10.1063/5.0051193
Time-resolved thermal lens investigation of glassy dynamics in supercooled liquids: Theory and experiments
J. Chem. Phys. 155, 074503 (2021)
https://doi.org/10.1063/5.0060310
Solvation of anthraquinone and TEMPO redox-active species in acetonitrile using a polarizable force field
J. Chem. Phys. 155, 074504 (2021)
https://doi.org/10.1063/5.0061891
Manipulating meso-scale solvent structure from Pd nanoparticle deposits in deep eutectic solvents
In Special Collection:
Chemical Physics of Deep Eutectic Solvents
J. Chem. Phys. 155, 074505 (2021)
https://doi.org/10.1063/5.0058605
Materials, Surfaces, and Interfaces
Dissociation of water on atomic oxygen-covered Rh nanoclusters supported on graphene/Ru(0001)
J. Chem. Phys. 155, 074701 (2021)
https://doi.org/10.1063/5.0060529
Application of the dynamic mean field theory to fluid transport in slit pores
J. Chem. Phys. 155, 074702 (2021)
https://doi.org/10.1063/5.0060776
Kinetically driven island morphology in growth on strained Cu(100)
J. Chem. Phys. 155, 074703 (2021)
https://doi.org/10.1063/5.0058926
Chemical Physics Software
Polymers and Soft Matter
Structural and short-time vibrational properties of colloidal glasses and supercooled liquids in the vicinity of the re-entrant glass transition
In Special Collection:
Depletion Forces and Asakura-Oosawa Theory
J. Chem. Phys. 155, 074902 (2021)
https://doi.org/10.1063/5.0059084
Diffusion, phase behavior, and gelation in a two-dimensional layer of colloids in osmotic equilibrium with a polymer reservoir
In Special Collection:
Depletion Forces and Asakura-Oosawa Theory
J. Chem. Phys. 155, 074903 (2021)
https://doi.org/10.1063/5.0058172
Aggregation of discoidal particles due to depletion interaction
In Special Collection:
Depletion Forces and Asakura-Oosawa Theory
J. Chem. Phys. 155, 074904 (2021)
https://doi.org/10.1063/5.0052481
Biological Molecules and Networks
Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region
J. Chem. Phys. 155, 075102 (2021)
https://doi.org/10.1063/5.0056422
