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Inertial effects of self-propelled particles: From active Brownian to active Langevin motion
Lessons from intramolecular singlet fission with covalently bound chromophores
Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
A comparative first-principles investigation on the defect chemistry of TiO2 anatase
Morphology and chemical behavior of model CsOx/Cu2O/Cu(111) nanocatalysts for methanol synthesis: Reaction with CO2 and H2
Mixed silver-nickel oxide AgNiO2: Probing by CO during XPS study
MoO3/Al2O3 catalysts for chemical-looping oxidative dehydrogenation of ethane
Water adsorption on vanadium oxide thin films in ambient relative humidity
PERSPECTIVES
Inertial effects of self-propelled particles: From active Brownian to active Langevin motion
J. Chem. Phys. 152, 040901 (2020)
https://doi.org/10.1063/1.5134455
Understanding chemical and physical mechanisms in atomic layer deposition
J. Chem. Phys. 152, 040902 (2020)
https://doi.org/10.1063/1.5133390
Lessons from intramolecular singlet fission with covalently bound chromophores
In Special Collection:
JCP Editors' Choice 2020
J. Chem. Phys. 152, 040904 (2020)
https://doi.org/10.1063/1.5135307
COMMUNICATIONS
Chemical bond effects in classical site density functional theory of inhomogeneous molecular liquids
J. Chem. Phys. 152, 041101 (2020)
https://doi.org/10.1063/1.5139619
Entangled system-and-environment dynamics: Phase–space dissipaton theory
J. Chem. Phys. 152, 041102 (2020)
https://doi.org/10.1063/1.5135776
Long-time structural relaxation of glass-forming liquids: Simple or stretched exponential?
J. Chem. Phys. 152, 041103 (2020)
https://doi.org/10.1063/1.5142189
To see C2: Single-photon ionization of the dicarbon molecule
J. Chem. Phys. 152, 041105 (2020)
https://doi.org/10.1063/1.5139309
Charge generation dynamics in hematite photoanodes decorated with gold nanostructures under near infrared excitation
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 152, 041106 (2020)
https://doi.org/10.1063/1.5139313
ARTICLES
Theoretical Methods and Algorithms
Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
J. Chem. Phys. 152, 044103 (2020)
https://doi.org/10.1063/1.5134461
Entangled two-photon absorption spectroscopy for optically forbidden transition detection
J. Chem. Phys. 152, 044106 (2020)
https://doi.org/10.1063/1.5138691
FCHL revisited: Faster and more accurate quantum machine learning
In Special Collection:
Machine Learning Meets Chemical Physics
J. Chem. Phys. 152, 044107 (2020)
https://doi.org/10.1063/1.5126701
Transition path sampling for non-equilibrium dynamics without predefined reaction coordinates
J. Chem. Phys. 152, 044108 (2020)
https://doi.org/10.1063/1.5130760
Impact of electron–phonon coupling on the quantum yield of photovoltaic devices
J. Chem. Phys. 152, 044109 (2020)
https://doi.org/10.1063/1.5140323
A comparative first-principles investigation on the defect chemistry of TiO2 anatase
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 044110 (2020)
https://doi.org/10.1063/1.5138902
TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings
J. Chem. Phys. 152, 044112 (2020)
https://doi.org/10.1063/1.5126440
Advanced Experimental Techniques
Low energy excited state vibrations revealed in conjugated copolymer PCDTBT
In Special Collection:
Ultrafast molecular sciences by femtosecond photons and electrons
J. Chem. Phys. 152, 044201 (2020)
https://doi.org/10.1063/1.5132299
Quantifying mobile ions and electronic defects in perovskite-based devices with temperature-dependent capacitance measurements: Frequency vs time domain
In Special Collection:
Lead Halide Perovskites
J. Chem. Phys. 152, 044202 (2020)
https://doi.org/10.1063/1.5132754
Atoms, Molecules, and Clusters
Hyperfine structure in thallium atom: Study of nuclear magnetization distribution effects
J. Chem. Phys. 152, 044301 (2020)
https://doi.org/10.1063/1.5141090
Initial-state preparation effects in time-resolved electron paramagnetic resonance experiments
In Special Collection:
Spin Chemistry
J. Chem. Phys. 152, 044304 (2020)
https://doi.org/10.1063/1.5127806
The importance of O3 excited potential energy surfaces in O2–O high-temperature kinetics
J. Chem. Phys. 152, 044305 (2020)
https://doi.org/10.1063/1.5142191
The electronic spectrum of the jet-cooled stibino (SbH2) free radical
J. Chem. Phys. 152, 044307 (2020)
https://doi.org/10.1063/1.5139527
Liquids, Glasses, and Crystals
Influence of polymer topology on crystallization in thin films
J. Chem. Phys. 152, 044501 (2020)
https://doi.org/10.1063/1.5134983
Observation of polymer-like flow mechanism in a short-chain phosphate glass-forming liquid
J. Chem. Phys. 152, 044502 (2020)
https://doi.org/10.1063/1.5141004
Surfaces, Interfaces, and Materials
Morphology and chemical behavior of model CsOx/Cu2O/Cu(111) nanocatalysts for methanol synthesis: Reaction with CO2 and H2
In Special Collection:
Catalytic Properties of Model Supported Nanoparticles
J. Chem. Phys. 152, 044701 (2020)
https://doi.org/10.1063/1.5129152
Surface chemistry and photochemistry of small molecules on rutile TiO2(001) and TiO2(011)-(2 1) surfaces: The crucial roles of defects
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 044702 (2020)
https://doi.org/10.1063/1.5135945
Cooperative smart TiO2 photocatalysis and TEMPO catalysis: Visible light-mediated selective aerobic oxidation of amines
In Special Collection:
Photocatalysis and Photoelectrochemistry
J. Chem. Phys. 152, 044705 (2020)
https://doi.org/10.1063/1.5142512
Geminate recombination in organic photovoltaic blend PCDTBT/PC71BM studied by out-of-phase electron spin echo spectroscopy
In Special Collection:
Spin Chemistry
J. Chem. Phys. 152, 044706 (2020)
https://doi.org/10.1063/1.5131855
Mixed silver-nickel oxide AgNiO2: Probing by CO during XPS study
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 044707 (2020)
https://doi.org/10.1063/1.5138237
Investigating photoresponsivity of graphene-silver hybrid nanomaterials in the ultraviolet
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 152, 044709 (2020)
https://doi.org/10.1063/1.5138722
Gold nanoparticle on semiconductor quantum dot: Do surface ligands influence Fermi level equilibration
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 152, 044710 (2020)
https://doi.org/10.1063/1.5138216
Long-lived charge separation in two-dimensional ligand-perovskite heterostructures
J. Chem. Phys. 152, 044711 (2020)
https://doi.org/10.1063/1.5131801
The reaction of propylene to propylene-oxide on CeO2: An FTIR spectroscopy and temperature programmed desorption study
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 044712 (2020)
https://doi.org/10.1063/1.5140544
MoO3/Al2O3 catalysts for chemical-looping oxidative dehydrogenation of ethane
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 044713 (2020)
https://doi.org/10.1063/1.5135920
Magneto-electroluminescence response in 2D and 3D hybrid organic–inorganic perovskite light emitting diodes
In Special Collection:
Lead Halide Perovskites
J. Chem. Phys. 152, 044714 (2020)
https://doi.org/10.1063/1.5132982
Water adsorption on vanadium oxide thin films in ambient relative humidity
In Special Collection:
Oxide Chemistry and Catalysis
J. Chem. Phys. 152, 044715 (2020)
https://doi.org/10.1063/1.5138959
Polymers and Soft Matter
The effect of surface roughness on the phase behavior of colloidal particles
J. Chem. Phys. 152, 044902 (2020)
https://doi.org/10.1063/1.5136080
Biological Molecules and Networks
The catalytic nature of protein aggregation
In Special Collection:
JCP Editors' Choice 2019
J. Chem. Phys. 152, 045101 (2020)
https://doi.org/10.1063/1.5133635
Master equation model to predict energy transport pathways in proteins
J. Chem. Phys. 152, 045103 (2020)
https://doi.org/10.1063/1.5140070
