Skip Nav Destination
PERSPECTIVES
Quasi-degenerate states and their dynamics in oxygen deficient reducible metal oxides
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 050901 (2020)
https://doi.org/10.1063/1.5138484
Machine learning for interatomic potential models
J. Chem. Phys. 152, 050902 (2020)
https://doi.org/10.1063/1.5126336
COMMUNICATIONS
Exploring the landscape of Buckingham potentials for silica by machine learning: Soft vs hard interatomic forcefields
In Special Collection:
Machine Learning Meets Chemical Physics
J. Chem. Phys. 152, 051101 (2020)
https://doi.org/10.1063/1.5136041
Probing structural changes upon carbon monoxide coordination to single metal adatoms
J. Chem. Phys. 152, 051102 (2020)
https://doi.org/10.1063/1.5137904
Analytical derivation of equilibrium state for open quantum system
J. Chem. Phys. 152, 051103 (2020)
https://doi.org/10.1063/1.5141519
ARTICLES
Theoretical Methods and Algorithms
Efficient and stochastic multireference perturbation theory for large active spaces within a full configuration interaction quantum Monte Carlo framework
In Special Collection:
JCP Editors' Choice 2020
J. Chem. Phys. 152, 054101 (2020)
https://doi.org/10.1063/1.5140086
Excluded-volume descriptors for dipole-bound anions: Amine N-oxides as a test case
J. Chem. Phys. 152, 054102 (2020)
https://doi.org/10.1063/1.5142624
Dielectric embedding GW for weakly coupled molecule-metal interfaces
J. Chem. Phys. 152, 054103 (2020)
https://doi.org/10.1063/1.5140972
Rotational-permutational dual-pairing and long-lived spin order
J. Chem. Phys. 152, 054106 (2020)
https://doi.org/10.1063/1.5140186
Thermodynamics of switching in multistable non-equilibrium systems
J. Chem. Phys. 152, 054108 (2020)
https://doi.org/10.1063/1.5140536
The ab initio density functional theory applied for spin-polarized calculations
J. Chem. Phys. 152, 054109 (2020)
https://doi.org/10.1063/1.5128933
Advanced Experimental Techniques
Optical field tuning of localized plasmon modes in Ag microcrystals at the nanofemto scale
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 152, 054201 (2020)
https://doi.org/10.1063/1.5139543
Atoms, Molecules, and Clusters
The striking influence of oxophilicity differences in heterometallic Mo–Mn oxide cluster reactions with water
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054301 (2020)
https://doi.org/10.1063/1.5142398
Strong-field control of production from methanol dications: Selecting between local and extended formation mechanisms
In Special Collection:
Ultrafast molecular sciences by femtosecond photons and electrons
J. Chem. Phys. 152, 054302 (2020)
https://doi.org/10.1063/1.5129946
Liquids, Glasses, and Crystals
The Soret effect of halobenzenes in n-alkanes: The pseudo-isotope effect and thermophobicities
J. Chem. Phys. 152, 054501 (2020)
https://doi.org/10.1063/1.5141055
The spectroscopic characterization of interstitial oxygen in bulk silicon: A quantum mechanical simulation
J. Chem. Phys. 152, 054502 (2020)
https://doi.org/10.1063/1.5139564
Surfaces, Interfaces, and Materials
Reversible oxidation–reduction of epitaxial iron oxide films on Pt(111): Magnetite–hematite interconversion
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054701 (2020)
https://doi.org/10.1063/1.5136322
Growth and structural studies of In/Au(111) alloys and InOx/Au(111) inverse oxide/metal model catalysts
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054702 (2020)
https://doi.org/10.1063/1.5139237
Resonant osmosis across active switchable membranes
J. Chem. Phys. 152, 054704 (2020)
https://doi.org/10.1063/1.5138987
Model of graphene nanobubble: Combining classical density functional and elasticity theories
J. Chem. Phys. 152, 054705 (2020)
https://doi.org/10.1063/1.5138687
3-dimensional nucleation of Fe oxide induced by a graphene buffer layer
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054706 (2020)
https://doi.org/10.1063/1.5138588
Wettability of ultra-small pores of carbon electrodes by size-asymmetric ionic fluids
In Special Collection:
Interfacial Structure and Dynamics for Electrochemical Energy Storage
J. Chem. Phys. 152, 054708 (2020)
https://doi.org/10.1063/1.5131450
A density functional theory study on reduction-induced structural transformation of copper-oxide-based oxygen carrier
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054709 (2020)
https://doi.org/10.1063/1.5137906
Anti-crossing property of strong coupling system of silver nanoparticle dimers coated with thin dye molecular films analyzed by electromagnetism
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 152, 054710 (2020)
https://doi.org/10.1063/1.5133875
Desorption of neutrals, cations, and anions from core-excited amorphous solid water
J. Chem. Phys. 152, 054711 (2020)
https://doi.org/10.1063/1.5133156
Au nanoparticles on Fe-modified rutile TiO2(110): Dispersion, thermal stability, and CO adsorption
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054712 (2020)
https://doi.org/10.1063/1.5140839
Surface chemistry of 2-propanol and O2 mixtures on SnO2(110) studied with ambient-pressure x-ray photoelectron spectroscopy
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054713 (2020)
https://doi.org/10.1063/1.5138923
Morphology and reactivity of size-selected titanium oxide nanoclusters on Au(111)
J. Chem. Phys. 152, 054714 (2020)
https://doi.org/10.1063/1.5134453
Partial oxidation of methane to methanol by isolated Pt catalyst supported on a CeO2 nanoparticle
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054715 (2020)
https://doi.org/10.1063/1.5135741
Influence of rectilinear vs radial advection on the yield of A + B C reaction fronts: A comparison
J. Chem. Phys. 152, 054716 (2020)
https://doi.org/10.1063/1.5135292
Disentangling different modes of mobility for triphenylphosphine oxide adsorbed on alumina
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 054718 (2020)
https://doi.org/10.1063/1.5142568
Polymers and Soft Matter
Entire crystallization process of Lennard-Jones liquids: A large-scale molecular dynamics study
J. Chem. Phys. 152, 054903 (2020)
https://doi.org/10.1063/1.5139574
Dynamic heterogeneity and collective motion in star polymer melts
J. Chem. Phys. 152, 054904 (2020)
https://doi.org/10.1063/1.5135731
Spatially varying colloidal phase behavior on multi-dimensional energy landscapes
J. Chem. Phys. 152, 054905 (2020)
https://doi.org/10.1063/1.5142609
Structural transitions for 2D systems with competing interactions in logarithmic traps
J. Chem. Phys. 152, 054906 (2020)
https://doi.org/10.1063/1.5140816
Biological Molecules and Networks
Robust oscillations in multi-cyclic Markov state models of biochemical clocks
In Special Collection:
2020 JCP Emerging Investigators Special Collection
J. Chem. Phys. 152, 055101 (2020)
https://doi.org/10.1063/1.5143259