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Guiding epitaxial crystallization of amorphous solids at the nanoscale: Interfaces, stress, and precrystalline order
Cross-correlation effects in the solution NMR spectra of near-equivalent spin-1/2 pairs
Renormalization of excitonic properties by polar phonons
PERSPECTIVES
Guiding epitaxial crystallization of amorphous solids at the nanoscale: Interfaces, stress, and precrystalline order
In Special Collection:
JCP Editors' Choice 2022
J. Chem. Phys. 157, 100901 (2022)
https://doi.org/10.1063/5.0098043
COMMUNICATIONS
Thermodynamic modeling of fluid polyamorphism in hydrogen at extreme conditions
J. Chem. Phys. 157, 101101 (2022)
https://doi.org/10.1063/5.0107043
Efficient charge transfer in an aggregation-induced nanocavity of Au nanoclusters
J. Chem. Phys. 157, 101102 (2022)
https://doi.org/10.1063/5.0101969
Quantifying energetic information in density functional theory
J. Chem. Phys. 157, 101103 (2022)
https://doi.org/10.1063/5.0104919
Accurate non-adiabatic couplings from optimally tuned range-separated hybrid functionals
J. Chem. Phys. 157, 101104 (2022)
https://doi.org/10.1063/5.0099854
Theoretical Methods and Algorithms
Orbital-free methods for plasmonics: Linear response
In Special Collection:
Advances in Modeling Plasmonic Systems
J. Chem. Phys. 157, 104101 (2022)
https://doi.org/10.1063/5.0100797
ARTICLES
Theoretical Methods and Algorithms
Broad chemical transferability in structure-based coarse-graining
J. Chem. Phys. 157, 104102 (2022)
https://doi.org/10.1063/5.0104914
Nonequilibrium thermodynamics of Janus particle self-assembly
J. Chem. Phys. 157, 104103 (2022)
https://doi.org/10.1063/5.0097802
Indirect learning and physically guided validation of interatomic potential models
J. Chem. Phys. 157, 104105 (2022)
https://doi.org/10.1063/5.0099929
Long-range charge transport in homogeneous and alternating-rigidity chains
J. Chem. Phys. 157, 104106 (2022)
https://doi.org/10.1063/5.0101148
Partially polaron-transformed quantum master equation for exciton and charge transport dynamics
J. Chem. Phys. 157, 104107 (2022)
https://doi.org/10.1063/5.0106546
Two bridge-particle-mediated RET between chiral molecules
J. Chem. Phys. 157, 104110 (2022)
https://doi.org/10.1063/5.0105172
Accurate property prediction by second order perturbation theory: The REMP and OO-REMP hybrids
J. Chem. Phys. 157, 104111 (2022)
https://doi.org/10.1063/5.0105628
Cross-correlation effects in the solution NMR spectra of near-equivalent spin-1/2 pairs
In Special Collection:
JCP Editors' Choice 2022
J. Chem. Phys. 157, 104112 (2022)
https://doi.org/10.1063/5.0107221
Charge delocalization error in Piris natural orbital functionals
J. Chem. Phys. 157, 104113 (2022)
https://doi.org/10.1063/5.0102310
Electronic absorption spectra from off-diagonal quantum master equations
J. Chem. Phys. 157, 104115 (2022)
https://doi.org/10.1063/5.0106888
Renormalization of excitonic properties by polar phonons
J. Chem. Phys. 157, 104116 (2022)
https://doi.org/10.1063/5.0100738
Trapped-particle microrheology of active suspensions
J. Chem. Phys. 157, 104119 (2022)
https://doi.org/10.1063/5.0108014
Advanced Experimental Techniques
Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy
In Special Collection:
Photophysics in Emerging Photovoltaics
J. Chem. Phys. 157, 104201 (2022)
https://doi.org/10.1063/5.0100075
Atoms, Molecules, and Clusters
Anti-Kasha emissions of single molecules in a plasmonic nanocavity
In Special Collection:
Plasmon-Driven Energy Conversion
J. Chem. Phys. 157, 104302 (2022)
https://doi.org/10.1063/5.0102087
Theoretical investigation of rotationally inelastic collisions of OH(X2Π) with hydrogen atoms
J. Chem. Phys. 157, 104305 (2022)
https://doi.org/10.1063/5.0110724
Liquids, Glasses, and Crystals
Vibration assisted glass-formation in zeolitic imidazolate framework
J. Chem. Phys. 157, 104501 (2022)
https://doi.org/10.1063/5.0109885
The liquidus temperature curve of aqueous methanol mixtures: A numerical simulation study
In Special Collection:
Fluids Meet Solids
J. Chem. Phys. 157, 104502 (2022)
https://doi.org/10.1063/5.0099751
Materials, Surfaces, and Interfaces
Transport of thin water films: From thermally activated random walks to hydrodynamics
In Special Collection:
Fluids Meet Solids
J. Chem. Phys. 157, 104702 (2022)
https://doi.org/10.1063/5.0099646
Polymers and Soft Matter
Molecular simulation of hopping mechanisms of nanoparticles in regular cross-linked polymer networks
J. Chem. Phys. 157, 104901 (2022)
https://doi.org/10.1063/5.0098947
Compression-induced buckling of a semiflexible filament in two and three dimensions
J. Chem. Phys. 157, 104903 (2022)
https://doi.org/10.1063/5.0104910
