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Colloidal quantum dots for infrared detection beyond silicon
Analytical gradients for projection-based wavefunction-in-DFT embedding
Coupling of electronic and nuclear motion in a negative ion resonance: Experimental and theoretical study of benzene
Realistic atomic structure of fly ash-based geopolymer gels: Insights from molecular dynamics simulations
Phase behavior of empirical potentials of titanium dioxide
Finite field formalism for bulk electrolyte solutions
PERSPECTIVES
Colloidal quantum dots for infrared detection beyond silicon
In Special Collection:
Colloidal Quantum Dots
J. Chem. Phys. 151, 060901 (2019)
https://doi.org/10.1063/1.5115501
COMMUNICATIONS
Similarity transformation of the electronic Schrödinger equation via Jastrow factorization
J. Chem. Phys. 151, 061101 (2019)
https://doi.org/10.1063/1.5116024
Can pure polymer liquids be represented at two different resolutions simultaneously?
J. Chem. Phys. 151, 061102 (2019)
https://doi.org/10.1063/1.5115791
ARTICLES
Theoretical Methods and Algorithms
Can the distinguishable cluster approximation be improved systematically by including connected triples?
J. Chem. Phys. 151, 064102 (2019)
https://doi.org/10.1063/1.5097150
Quantum system-bath dynamics with quantum superposition sampling and coupled generalized coherent states
In Special Collection:
Dynamics of Open Quantum Systems
J. Chem. Phys. 151, 064103 (2019)
https://doi.org/10.1063/1.5100145
Anharmonic vibrational computations with a quartic force field for curvilinear coordinates
J. Chem. Phys. 151, 064104 (2019)
https://doi.org/10.1063/1.5096167
Reliability of two embedded atom models for the description of Ag@Au nanoalloys
J. Chem. Phys. 151, 064105 (2019)
https://doi.org/10.1063/1.5107495
State space distribution and dynamical flow for closed and open quantum systems
In Special Collection:
Dynamics of Open Quantum Systems
J. Chem. Phys. 151, 064106 (2019)
https://doi.org/10.1063/1.5100736
Projected density matrix embedding theory with applications to the two-dimensional Hubbard model
J. Chem. Phys. 151, 064108 (2019)
https://doi.org/10.1063/1.5108818
Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar)
J. Chem. Phys. 151, 064110 (2019)
https://doi.org/10.1063/1.5113873
OH radical in water from ab initio molecular dynamics simulation employing hybrid functionals
J. Chem. Phys. 151, 064111 (2019)
https://doi.org/10.1063/1.5107479
Analytical gradients for projection-based wavefunction-in-DFT embedding
J. Chem. Phys. 151, 064112 (2019)
https://doi.org/10.1063/1.5109882
The third law of thermodynamics in open quantum systems
In Special Collection:
Dynamics of Open Quantum Systems
J. Chem. Phys. 151, 064115 (2019)
https://doi.org/10.1063/1.5100182
Large deviations and dynamical phase transitions in stochastic chemical networks
J. Chem. Phys. 151, 064117 (2019)
https://doi.org/10.1063/1.5111110
Basis set convergence of Wilson basis functions for electronic structure
J. Chem. Phys. 151, 064118 (2019)
https://doi.org/10.1063/1.5094295
Coupling of electronic and nuclear motion in a negative ion resonance: Experimental and theoretical study of benzene
In Special Collection:
JCP Editors' Choice 2019
J. Chem. Phys. 151, 064119 (2019)
https://doi.org/10.1063/1.5110677
Realistic model of charge mobility in -conjugated polymer systems
J. Chem. Phys. 151, 064120 (2019)
https://doi.org/10.1063/1.5111126
Capabilities and limitations of time-lagged autoencoders for slow mode discovery in dynamical systems
J. Chem. Phys. 151, 064123 (2019)
https://doi.org/10.1063/1.5112048
Computing three-dimensional densities from force densities improves statistical efficiency
J. Chem. Phys. 151, 064124 (2019)
https://doi.org/10.1063/1.5111697
Advanced Experimental Techniques
Rayleigh-Brillouin light scattering spectra of CO2 from molecular dynamics
J. Chem. Phys. 151, 064201 (2019)
https://doi.org/10.1063/1.5110676
Atoms, Molecules, and Clusters
Fourier-transform microwave spectroscopy on weakly bound complexes of CH2OO with Ar, CO, and N2
J. Chem. Phys. 151, 064301 (2019)
https://doi.org/10.1063/1.5116165
High-resolution photoelectron spectroscopy of the pyridinide isomers
J. Chem. Phys. 151, 064302 (2019)
https://doi.org/10.1063/1.5115413
Electron scattering from tin tetrachloride (SnCl4) molecules
J. Chem. Phys. 151, 064305 (2019)
https://doi.org/10.1063/1.5116307
Radiative and non-radiative decay kinetics of (CdSe)N (N = 3 and 4) clusters
J. Chem. Phys. 151, 064306 (2019)
https://doi.org/10.1063/1.5109068
Realistic atomic structure of fly ash-based geopolymer gels: Insights from molecular dynamics simulations
J. Chem. Phys. 151, 064307 (2019)
https://doi.org/10.1063/1.5121519
Liquids, Glasses, and Crystals
Vibrational solvatochromism of the ester carbonyl vibration of PCBM in organic solutions
J. Chem. Phys. 151, 064501 (2019)
https://doi.org/10.1063/1.5111046
From the molecular quadrupole moment of oxygen to the macroscopic quadrupolarizability of its liquid phase
J. Chem. Phys. 151, 064502 (2019)
https://doi.org/10.1063/1.5110675
Thermodynamic metric geometry of the two-state ST2 model for supercooled water
In Special Collection:
Chemical Physics of Supercooled Water
J. Chem. Phys. 151, 064503 (2019)
https://doi.org/10.1063/1.5101075
The vapor pressure of liquid and solid water phases at conditions relevant to the atmosphere
In Special Collection:
Chemical Physics of Supercooled Water
J. Chem. Phys. 151, 064504 (2019)
https://doi.org/10.1063/1.5100364
Phase behavior of empirical potentials of titanium dioxide
J. Chem. Phys. 151, 064505 (2019)
https://doi.org/10.1063/1.5115161
Finite field formalism for bulk electrolyte solutions
J. Chem. Phys. 151, 064506 (2019)
https://doi.org/10.1063/1.5099207
Extended correlations in the critical superheated solid
J. Chem. Phys. 151, 064507 (2019)
https://doi.org/10.1063/1.5111527
Glass transition of LiCl aqueous solutions confined in mesoporous silica
In Special Collection:
Chemical Physics of Supercooled Water
J. Chem. Phys. 151, 064509 (2019)
https://doi.org/10.1063/1.5102142
Surfaces, Interfaces, and Materials
Formation of hot ice caused by carbon nanobrushes
J. Chem. Phys. 151, 064702 (2019)
https://doi.org/10.1063/1.5111843
The air-water interface stabilizes -helical conformations of the insulin B-chain
J. Chem. Phys. 151, 064706 (2019)
https://doi.org/10.1063/1.5100253
DFT study of Au self-diffusion on Au(001) in the presence of a Cl adlayer
J. Chem. Phys. 151, 064709 (2019)
https://doi.org/10.1063/1.5113965
Polymers and Soft Matter
Dynamics of diffusiophoretic vesicle under external shear flow
J. Chem. Phys. 151, 064901 (2019)
https://doi.org/10.1063/1.5112808
Biological Molecules and Networks
On the forward/backward symmetry of transition path time distributions in nonequilibrium systems
J. Chem. Phys. 151, 065102 (2019)
https://doi.org/10.1063/1.5109293
On the optimal relative orientation of radicals in the cryptochrome magnetic compass
In Special Collection:
Spin Chemistry
J. Chem. Phys. 151, 065103 (2019)
https://doi.org/10.1063/1.5115445
Compatibility of advanced water models with a united atom model of lipid in lipid bilayer simulation
J. Chem. Phys. 151, 065104 (2019)
https://doi.org/10.1063/1.5108830
LETTERS TO THE EDITOR
Comments
Comment on “Which interactions dominate in active colloids?” [J. Chem. Phys. 150, 061102 (2019)]
J. Chem. Phys. 151, 067101 (2019)
https://doi.org/10.1063/1.5095716
Errata
Erratum: “GW quasiparticle energies of atoms in strong magnetic fields” [J. Chem. Phys. 150, 214112 (2019)]
J. Chem. Phys. 151, 069902 (2019)
https://doi.org/10.1063/1.5120100
