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Translational and reorientational dynamics in deep eutectic solvents
Layer and spontaneous polarizations in perovskite oxides and their interplay in multiferroic bismuth ferrite
Issues
COMMUNICATIONS
Phase separation in mixed suspensions of bacteria and nonadsorbing polymers
In Special Collection:
Depletion Forces and Asakura-Oosawa Theory
J. Chem. Phys. 154, 151101 (2021)
https://doi.org/10.1063/5.0045435
ARTICLES
Theoretical Methods and Algorithms
Excited-state dynamics of [Mn(im)(CO)3(phen)]+: PhotoCORM, catalyst, luminescent probe?
In Special Collection:
Quantum Dynamics with ab Initio Potentials
J. Chem. Phys. 154, 154102 (2021)
https://doi.org/10.1063/5.0044108
Illustration of a computational pipeline for evaluating cyclodextrin host–guest complex formation through conformational capture of bullvalene
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 154105 (2021)
https://doi.org/10.1063/5.0045115
A quantum Langevin equation approach for two-dimensional electronic spectra of coupled vibrational and electronic dynamics
In Special Collection:
Coherent Multidimensional Spectroscopy
J. Chem. Phys. 154, 154107 (2021)
https://doi.org/10.1063/5.0042848
Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra
J. Chem. Phys. 154, 154108 (2021)
https://doi.org/10.1063/5.0047134
Advanced Experimental Techniques
Quantum dynamics of Mn2+ in dimethylammonium magnesium formate
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 154201 (2021)
https://doi.org/10.1063/5.0046984
Anisotropy in fifth-order exciton–exciton-interaction two-dimensional spectroscopy
In Special Collection:
Coherent Multidimensional Spectroscopy
J. Chem. Phys. 154, 154202 (2021)
https://doi.org/10.1063/5.0046894
Two-color two-dimensional terahertz spectroscopy: A new approach for exploring even-order nonlinearities in the nonperturbative regime
In Special Collection:
Coherent Multidimensional Spectroscopy
J. Chem. Phys. 154, 154203 (2021)
https://doi.org/10.1063/5.0047700
Atoms, Molecules, and Clusters
First-principle study of the structures, growth pattern, and properties of (Pt3Cu)n, n = 1–9, clusters
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
Carlos Daniel Galindo-Uribe; Patrizia Calaminici; Heriberto Cruz-Martínez; Domingo Cruz-Olvera; Omar Solorza-Feria
J. Chem. Phys. 154, 154302 (2021)
https://doi.org/10.1063/5.0045203
Effect of molecular Stokes shift on polariton dynamics
In Special Collection:
Polariton Chemistry: Molecules in Cavities and Plasmonic Media
J. Chem. Phys. 154, 154303 (2021)
https://doi.org/10.1063/5.0037896
Accurate semiempirical potential energy curves for the a3+-state of NaCs, KCs, and RbCs
J. Chem. Phys. 154, 154304 (2021)
https://doi.org/10.1063/5.0046194
Wavepacket propagations for the early time dynamics of proton-coupled electron transfer in the charge-transfer state of NH3Cl complex
In Special Collection:
Quantum Dynamics with ab Initio Potentials
J. Chem. Phys. 154, 154305 (2021)
https://doi.org/10.1063/5.0046247
Liquids, Glasses, and Crystals
Translational and reorientational dynamics in deep eutectic solvents
J. Chem. Phys. 154, 154501 (2021)
https://doi.org/10.1063/5.0045448
A hybrid topological and shape-matching approach for structure analysis
J. Chem. Phys. 154, 154502 (2021)
https://doi.org/10.1063/5.0046419
Materials, Surfaces, and Interfaces
Phase-transition critical thickness of rocksalt MgxZn1xO layers
J. Chem. Phys. 154, 154701 (2021)
https://doi.org/10.1063/5.0042415
Layer and spontaneous polarizations in perovskite oxides and their interplay in multiferroic bismuth ferrite
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
,
JCP Editors' Choice 2021
J. Chem. Phys. 154, 154702 (2021)
https://doi.org/10.1063/5.0046061
From nanotubes to nanoholes: Scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1:1 electrolytes
In Special Collection:
Fluids in Nanopores
J. Chem. Phys. 154, 154704 (2021)
https://doi.org/10.1063/5.0040593
Polymers and Soft Matter
Tuning the permeability of regular polymeric networks by the cross-link ratio
J. Chem. Phys. 154, 154902 (2021)
https://doi.org/10.1063/5.0045675
Water dynamics within nanostructured amphiphilic statistical copolymers from quasielastic neutron scattering
In Special Collection:
Fluids in Nanopores
J. Chem. Phys. 154, 154903 (2021)
https://doi.org/10.1063/5.0045341
Biological Molecules and Networks
Smaller molecules crowd better: Crowder size dependence revealed by single-molecule FRET studies and depletion force modeling analysis
In Special Collection:
Depletion Forces and Asakura-Oosawa Theory
J. Chem. Phys. 154, 155101 (2021)
https://doi.org/10.1063/5.0045492
LETTERS TO THE EDITOR
Errata
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.