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PERSPECTIVES
Toward understanding the mechanism of water dynamical onset on the material interfaces
J. Chem. Phys. 159, 220901 (2023)
https://doi.org/10.1063/5.0176362
COMMUNICATIONS
Remote regulation on the hydration sites of adenine molecules via derivatization
In Special Collection:
Water: Molecular Origins of its Anomalies
J. Chem. Phys. 159, 221101 (2023)
https://doi.org/10.1063/5.0182990
TUTORIALS
How to extract kinetic information from Tafel analysis in electrocatalysis
J. Chem. Phys. 159, 221501 (2023)
https://doi.org/10.1063/5.0175156
ARTICLES
Theoretical Methods and Algorithms
Efficient Hartree–Fock exchange algorithm with Coulomb range separation and long-range density fitting
J. Chem. Phys. 159, 224101 (2023)
https://doi.org/10.1063/5.0178266
Exact solution of a three-stage model of stochastic gene expression including cell-cycle dynamics
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 159, 224102 (2023)
https://doi.org/10.1063/5.0173742
Dispersion-corrected r2SCAN based double-hybrid functionals
In Special Collection:
John Perdew Festschrift
J. Chem. Phys. 159, 224103 (2023)
https://doi.org/10.1063/5.0174988
Molecular photothermal effects, diffusion, and sample flow in time-resolved spectroscopy and microscopy
J. Chem. Phys. 159, 224104 (2023)
https://doi.org/10.1063/5.0181086
Can a coarse-grained water model capture the key physical features of the hydrophobic effect?
J. Chem. Phys. 159, 224105 (2023)
https://doi.org/10.1063/5.0176716
Atoms, Molecules, and Clusters
Diffusion quantum Monte Carlo study on magnesium clusters as large as nanoparticles
J. Chem. Phys. 159, 224302 (2023)
https://doi.org/10.1063/5.0176335
Liquids, Glasses, and Crystals
Further extension of the Madrid-2019 force field: Parametrization of nitrate (N) and ammonium (N) ions
J. Chem. Phys. 159, 224501 (2023)
https://doi.org/10.1063/5.0177363
Materials, Surfaces, and Interfaces
Probing chiral discrimination in biological systems using atomic force microscopy: The role of van der Waals and exchange interactions
In Special Collection:
Chiral Induced Spin Selectivity
Yael Kapon; Qirong Zhu; Shira Yochelis; Ron Naaman; Rafael Gutierrez; Giannaurelio Cuniberti; Yossi Paltiel; Vladimiro Mujica
J. Chem. Phys. 159, 224702 (2023)
https://doi.org/10.1063/5.0171742
Spatially modulated interface states in a two-dimensional potential: Single-layer RbI on Ag(111)
J. Chem. Phys. 159, 224705 (2023)
https://doi.org/10.1063/5.0177126
Chemical Physics Software
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
J. Chem. Phys. 159, 224801 (2023)
https://doi.org/10.1063/5.0179003