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PERSPECTIVES
Perspective: Highly stable vapor-deposited glasses
J. Chem. Phys. 147, 210901 (2017)
https://doi.org/10.1063/1.5006265
COMMUNICATIONS
Communication: Mechanochemical fluctuation theorem and thermodynamics of self-phoretic motors
J. Chem. Phys. 147, 211101 (2017)
https://doi.org/10.1063/1.5008562
ARTICLES
Theoretical Methods and Algorithms
Finite temperature dynamics of a Holstein polaron: The thermo-field dynamics approach
J. Chem. Phys. 147, 214102 (2017)
https://doi.org/10.1063/1.5000823
Transition path time distributions
J. Chem. Phys. 147, 214103 (2017)
https://doi.org/10.1063/1.5000423
σ-SCF: A direct energy-targeting method to mean-field excited states
J. Chem. Phys. 147, 214104 (2017)
https://doi.org/10.1063/1.5001262
A multiscale transport model for non-classical nanochannel electroosmosis
J. Chem. Phys. 147, 214105 (2017)
https://doi.org/10.1063/1.5005127
Study of Li atom diffusion in amorphous Li3PO4 with neural network potential
J. Chem. Phys. 147, 214106 (2017)
https://doi.org/10.1063/1.4997242
Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 147, 214107 (2017)
https://doi.org/10.1063/1.4997311
Coherent state mapping ring polymer molecular dynamics for non-adiabatic quantum propagations
J. Chem. Phys. 147, 214109 (2017)
https://doi.org/10.1063/1.4995616
On the non-stationary generalized Langevin equation
J. Chem. Phys. 147, 214110 (2017)
https://doi.org/10.1063/1.5006980
Self-adaptive tensor network states with multi-site correlators
J. Chem. Phys. 147, 214111 (2017)
https://doi.org/10.1063/1.5004693
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping
In Special Collection:
JCP Editors' Choice 2017
J. Chem. Phys. 147, 214113 (2017)
https://doi.org/10.1063/1.5003820
Theoretical approaches for treating non-valence correlation-bound anions
J. Chem. Phys. 147, 214114 (2017)
https://doi.org/10.1063/1.4991497
Quantum interference in multi-branched molecules: The exact transfer matrix solutions
J. Chem. Phys. 147, 214115 (2017)
https://doi.org/10.1063/1.4989872
Advanced Experimental Techniques
L-edge spectroscopy of dilute, radiation-sensitive systems using a transition-edge-sensor array
J. Chem. Phys. 147, 214201 (2017)
https://doi.org/10.1063/1.5000755
Atoms, Molecules, and Clusters
Orientation dependence of the work function for metal nanocrystals
J. Chem. Phys. 147, 214301 (2017)
https://doi.org/10.1063/1.4991725
The gas phase structure of -pinene, a main biogenic volatile organic compound
J. Chem. Phys. 147, 214305 (2017)
https://doi.org/10.1063/1.5003726
Eigenstate-specific temperatures in two-level paramagnetic spin lattices
J. Chem. Phys. 147, 214306 (2017)
https://doi.org/10.1063/1.5012914
Guided ion beam and theoretical studies of the bond energy of SmS+
J. Chem. Phys. 147, 214307 (2017)
https://doi.org/10.1063/1.5009916
Identification of a new low energy 1u state in dicopper with resonant four-wave mixing
J. Chem. Phys. 147, 214308 (2017)
https://doi.org/10.1063/1.5006107
Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD+
J. Chem. Phys. 147, 214309 (2017)
https://doi.org/10.1063/1.5016556
Transient anion spectra of the potential radiosensitizers 5-cyanateuracil and 5-thiocyanateuracil
J. Chem. Phys. 147, 214310 (2017)
https://doi.org/10.1063/1.5007050
Liquids, Glasses, and Crystals
Optimizing the formation of colloidal compounds with components of different shapes
J. Chem. Phys. 147, 214501 (2017)
https://doi.org/10.1063/1.5006047
A molecular Debye-Hückel theory of solvation in polar fluids: An extension of the Born model
In Special Collection:
Ions in Water
J. Chem. Phys. 147, 214502 (2017)
https://doi.org/10.1063/1.4998255
Equation of state and Helmholtz free energy for the atomic system of the repulsive Lennard-Jones particles
J. Chem. Phys. 147, 214503 (2017)
https://doi.org/10.1063/1.4997256
The second virial coefficient of bounded Mie potentials
J. Chem. Phys. 147, 214504 (2017)
https://doi.org/10.1063/1.5006035
Water-water correlations in electrolyte solutions probed by hyper-Rayleigh scattering
J. Chem. Phys. 147, 214505 (2017)
https://doi.org/10.1063/1.4998589
Effects of nanoparticle heating on the structure of a concentrated aqueous salt solution
J. Chem. Phys. 147, 214506 (2017)
https://doi.org/10.1063/1.5002002
Surfaces, Interfaces, and Materials
Ab initio simulations of bond breaking in sulfur crosslinked isoprene oligomer units
J. Chem. Phys. 147, 214703 (2017)
https://doi.org/10.1063/1.5001574
Heterogeneous nucleation on rough surfaces: Generalized Gibbs’ approach
J. Chem. Phys. 147, 214705 (2017)
https://doi.org/10.1063/1.5006631
A long-range ordered array of copper tetrameric units embedded in an on-surface metal organic framework
J. Chem. Phys. 147, 214706 (2017)
https://doi.org/10.1063/1.5004082
Polymers and Soft Matter
Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation
J. Chem. Phys. 147, 214902 (2017)
https://doi.org/10.1063/1.5000930
Trapping and escape in a turbid medium
J. Chem. Phys. 147, 214903 (2017)
https://doi.org/10.1063/1.5009425
Mesoscale simulations of confined Nafion thin films
J. Chem. Phys. 147, 214904 (2017)
https://doi.org/10.1063/1.4996695
Clearing out a maze: A model of chemotactic motion in porous media
J. Chem. Phys. 147, 214905 (2017)
https://doi.org/10.1063/1.4999485
Biological Molecules and Networks
Long-range coupling between ATP-binding and lever-arm regions in myosin via dielectric allostery
J. Chem. Phys. 147, 215101 (2017)
https://doi.org/10.1063/1.5004809
LETTERS TO THE EDITOR
Notes
Note: Assessment of the SCAN+rVV10 functional for the structure of liquid water
J. Chem. Phys. 147, 216101 (2017)
https://doi.org/10.1063/1.5006146