Skip Nav Destination
Accurate calculation of tunneling splittings in water clusters using path-integral based methods
Revised Enskog theory for Mie fluids: Prediction of diffusion coefficients, thermal diffusion coefficients, viscosities, and thermal conductivities
Interplay of multiple clusters and initial interface positioning for forward flux sampling simulations of crystal nucleation
The nucleation, growth, and adhesion of water bridges in sliding nano-contacts
Quantitative morphological analysis of InP-based quantum dots reveals new insights into the complexity of shell growth
EDITORIALS
Fluids meet solids
In Special Collection:
Fluids Meet Solids
J. Chem. Phys. 158, 220401 (2023)
https://doi.org/10.1063/5.0156357
PERSPECTIVES
Accurate calculation of tunneling splittings in water clusters using path-integral based methods
J. Chem. Phys. 158, 220901 (2023)
https://doi.org/10.1063/5.0146562
COMMUNICATIONS
Hole-initiated melting process of thin films
J. Chem. Phys. 158, 221101 (2023)
https://doi.org/10.1063/5.0151788
ARTICLES
Theoretical Methods and Algorithms
Revised Enskog theory for Mie fluids: Prediction of diffusion coefficients, thermal diffusion coefficients, viscosities, and thermal conductivities
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 158, 224101 (2023)
https://doi.org/10.1063/5.0149865
Interplay of multiple clusters and initial interface positioning for forward flux sampling simulations of crystal nucleation
In Special Collection:
Nucleation: Current Understanding Approaching 150 Years After Gibbs
J. Chem. Phys. 158, 224102 (2023)
https://doi.org/10.1063/5.0152343
Optimizing Jastrow factors for the transcorrelated method
J. Chem. Phys. 158, 224105 (2023)
https://doi.org/10.1063/5.0147877
A physically realizable molecular motor driven by the Landauer blowtorch effect
J. Chem. Phys. 158, 224106 (2023)
https://doi.org/10.1063/5.0153000
Waveguided energy transfer in pseudo-two-dimensional systems
J. Chem. Phys. 158, 224107 (2023)
https://doi.org/10.1063/5.0145540
A machine learning potential for simulating infrared spectra of nanosilicate clusters
In Special Collection:
Machine Learning Hits Molecular Simulations
J. Chem. Phys. 158, 224108 (2023)
https://doi.org/10.1063/5.0150379
Nonadiabatic dynamics near metal surface with periodic drivings: A Floquet surface hopping algorithm
J. Chem. Phys. 158, 224109 (2023)
https://doi.org/10.1063/5.0148418
Studying excited-state-specific perturbation theory on the Thiel set
J. Chem. Phys. 158, 224113 (2023)
https://doi.org/10.1063/5.0146975
Entanglement coupled cluster theory: Exact spin-adaptation
J. Chem. Phys. 158, 224114 (2023)
https://doi.org/10.1063/5.0144694
Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide
In Special Collection:
Modern Semiempirical Electronic Structure Methods
J. Chem. Phys. 158, 224115 (2023)
https://doi.org/10.1063/5.0141233
Advanced Experimental Techniques
Inhibition of vibrational energy flow within an aromatic scaffold via heavy atom effect
J. Chem. Phys. 158, 224201 (2023)
https://doi.org/10.1063/5.0153760
Atoms, Molecules, and Clusters
Dynamics of C(3P) + OH(X 2Π) reaction on the new global HCO(X2A′) potential energy surface
J. Chem. Phys. 158, 224306 (2023)
https://doi.org/10.1063/5.0151560
Formation of the C4Hn+ (n = 2–5) ions upon ionization of acetylene clusters in helium droplets
J. Chem. Phys. 158, 224307 (2023)
https://doi.org/10.1063/5.0150700
Liquids, Glasses, and Crystals
Boron coordination change in barium borate melts and glasses and its contribution to configurational heat capacity, entropy, and fragility
In Special Collection:
2023 JCP Emerging Investigators Special Collection
J. Chem. Phys. 158, 224501 (2023)
https://doi.org/10.1063/5.0153282
On the phase behaviors of CH4–CO2 binary clathrate hydrates: Two-phase and three-phase coexistences
J. Chem. Phys. 158, 224502 (2023)
https://doi.org/10.1063/5.0155143
Cations impact radical reaction dynamics in concentrated multicomponent aqueous solutions
J. Chem. Phys. 158, 224503 (2023)
https://doi.org/10.1063/5.0153132
Materials, Surfaces, and Interfaces
Mechanistic study of ZnSe nanocrystal formation from zinc halides
In Special Collection:
40 Years of Colloidal Nanocrystals in JCP
J. Chem. Phys. 158, 224701 (2023)
https://doi.org/10.1063/5.0144683
Carbonized titanium dioxide with good adsorption properties for cationic dyes via simple heat treatment
J. Chem. Phys. 158, 224702 (2023)
https://doi.org/10.1063/5.0146751
The nucleation, growth, and adhesion of water bridges in sliding nano-contacts
In Special Collection:
Adhesion and Friction
J. Chem. Phys. 158, 224703 (2023)
https://doi.org/10.1063/5.0150276
Quantitative morphological analysis of InP-based quantum dots reveals new insights into the complexity of shell growth
In Special Collection:
40 Years of Colloidal Nanocrystals in JCP
J. Chem. Phys. 158, 224705 (2023)
https://doi.org/10.1063/5.0149097
Chemical Physics Software
Polymers and Soft Matter
Coarse-grained modeling of polymers with end-on and side-on liquid crystal moieties: Effect of architecture
J. Chem. Phys. 158, 224901 (2023)
https://doi.org/10.1063/5.0152817
Biological Molecules and Networks
Prevalence of multistability and nonstationarity in driven chemical networks
J. Chem. Phys. 158, 225101 (2023)
https://doi.org/10.1063/5.0142589
