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Buffer gas cooled ice chemistry. I. Buffer gas cell and mm-wave spectrometer
Methane activation by vanadium oxide cluster anions (V2O5)NO− (N = 1–18)
Conductance of concentrated electrolytes: Multivalency and the Wien effect
Guiding the self-assembly of colloidal diamond
Layering and capillary waves in the structure factor of liquid surfaces
Solid-state synthesis of UV-plasmonic Cr2N nanoparticles
Nucleation and growth of crystals inside polyethylene nano-droplets
Semiflexible polymer solutions. II. Fluctuations and Frank elastic constants
EDITORIALS
JCP special topic on quantum light in physical chemistry and molecular spectroscopy
In Special Collection:
Quantum Light
J. Chem. Phys. 157, 150401 (2022)
https://doi.org/10.1063/5.0127099
COMMUNICATIONS
Unification of Perdew–Zunger self-interaction correction, DFT+U, and Rung 3.5 density functionals
J. Chem. Phys. 157, 151101 (2022)
https://doi.org/10.1063/5.0109338
ARTICLES
Theoretical Methods and Algorithms
Depletion interaction mediated by semiflexible polymers
J. Chem. Phys. 157, 154102 (2022)
https://doi.org/10.1063/5.0112015
Coupled local mode method for simulating vibrational spectroscopy
J. Chem. Phys. 157, 154103 (2022)
https://doi.org/10.1063/5.0119631
Reduction pathway of glutaredoxin 1 investigated with QM/MM molecular dynamics using a neural network correction
In Special Collection:
Modern Semiempirical Electronic Structure Methods
J. Chem. Phys. 157, 154104 (2022)
https://doi.org/10.1063/5.0123089
Can the Hartree–Fock kinetic energy exceed the exact kinetic energy?
J. Chem. Phys. 157, 154106 (2022)
https://doi.org/10.1063/5.0105684
Determination of spectroscopic constants from rovibrational configuration interaction calculations
J. Chem. Phys. 157, 154107 (2022)
https://doi.org/10.1063/5.0116018
Advanced Experimental Techniques
Buffer gas cooled ice chemistry. I. Buffer gas cell and mm-wave spectrometer
In Special Collection:
JCP Editors' Choice 2022
J. Chem. Phys. 157, 154201 (2022)
https://doi.org/10.1063/5.0111792
Atoms, Molecules, and Clusters
Quantum chemical and experimental thermodynamic studies of HfO(g)
J. Chem. Phys. 157, 154302 (2022)
https://doi.org/10.1063/5.0120504
Methane activation by vanadium oxide cluster anions (V2O5)NO− (N = 1–18)
In Special Collection:
JCP Editors' Choice 2022
J. Chem. Phys. 157, 154304 (2022)
https://doi.org/10.1063/5.0121979
Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states
J. Chem. Phys. 157, 154305 (2022)
https://doi.org/10.1063/5.0113908
Two- and three-body dissociations of C3H6 isomer dications investigated by 4 keV/u Ar8+ impact
J. Chem. Phys. 157, 154309 (2022)
https://doi.org/10.1063/5.0123266
Impact of ligand deformation on the -violation effects in the YbOH molecule
J. Chem. Phys. 157, 154310 (2022)
https://doi.org/10.1063/5.0121110
Liquids, Glasses, and Crystals
Phase equilibria molecular simulations of hydrogen hydrates via the direct phase coexistence approach
J. Chem. Phys. 157, 154501 (2022)
https://doi.org/10.1063/5.0108738
Conductance of concentrated electrolytes: Multivalency and the Wien effect
J. Chem. Phys. 157, 154502 (2022)
https://doi.org/10.1063/5.0111645
Guiding the self-assembly of colloidal diamond
J. Chem. Phys. 157, 154503 (2022)
https://doi.org/10.1063/5.0109377
Effects of molecular shape and flexibility on fast sound of organic liquids
J. Chem. Phys. 157, 154504 (2022)
https://doi.org/10.1063/5.0107387
Materials, Surfaces, and Interfaces
Free energy landscape within the hysteresis regime for fluids confined in disordered mesoporous solids
In Special Collection:
Fluids Meet Solids
J. Chem. Phys. 157, 154701 (2022)
https://doi.org/10.1063/5.0107333
Layering and capillary waves in the structure factor of liquid surfaces
J. Chem. Phys. 157, 154703 (2022)
https://doi.org/10.1063/5.0118252
Structural and charge transfer properties of ion intercalated 2D and bulk ice
J. Chem. Phys. 157, 154704 (2022)
https://doi.org/10.1063/5.0120466
Molecular dynamics study of structure and reactions at the hydroxylated Mg(0001)/bulk water interface
J. Chem. Phys. 157, 154705 (2022)
https://doi.org/10.1063/5.0105828
Solid-state synthesis of UV-plasmonic Cr2N nanoparticles
J. Chem. Phys. 157, 154706 (2022)
https://doi.org/10.1063/5.0109806
Polymers and Soft Matter
Nucleation and growth of crystals inside polyethylene nano-droplets
J. Chem. Phys. 157, 154901 (2022)
https://doi.org/10.1063/5.0105466
Divalent cation induced re-entrant condensation behavior for lipopolysaccharides
J. Chem. Phys. 157, 154902 (2022)
https://doi.org/10.1063/5.0111075
Single-chain and condensed-state behavior of hnRNPA1 from molecular simulations
J. Chem. Phys. 157, 154903 (2022)
https://doi.org/10.1063/5.0105540
Self-assembly and complex formation of amphiphilic star and bottle-brush block copolymers
J. Chem. Phys. 157, 154904 (2022)
https://doi.org/10.1063/5.0108479
Crystal nucleation of highly screened charged colloids
In Special Collection:
Nucleation: Current Understanding Approaching 150 Years After Gibbs
J. Chem. Phys. 157, 154905 (2022)
https://doi.org/10.1063/5.0117867
Semiflexible polymer solutions. II. Fluctuations and Frank elastic constants
In Special Collection:
JCP Editors' Choice 2022
J. Chem. Phys. 157, 154906 (2022)
https://doi.org/10.1063/5.0120526
LETTERS TO THE EDITOR
Notes
Charge transfer at finite temperature: The “|Δμ| big is good” principle
J. Chem. Phys. 157, 156101 (2022)
https://doi.org/10.1063/5.0107355
