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Droplet-like heterogeneity of aqueous tetrahydrofuran solutions at the submicrometer scale
Kinetic stability and energetics of simulated glasses created
The double-layer structure of overscreened surfaces by smeared-out ions
PERSPECTIVES
Perspective: Two-dimensional resonance Raman spectroscopy
J. Chem. Phys. 145, 180901 (2016)
https://doi.org/10.1063/1.4966194
COMMUNICATIONS
Communication: Dopant-induced solvation of alkalis in liquid helium nanodroplets
J. Chem. Phys. 145, 181101 (2016)
https://doi.org/10.1063/1.4967405
ARTICLES
Theoretical Methods and Algorithms
Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding
J. Chem. Phys. 145, 184102 (2016)
https://doi.org/10.1063/1.4966918
The best of both Reps—Diabatized Gaussians on adiabatic surfaces
J. Chem. Phys. 145, 184103 (2016)
https://doi.org/10.1063/1.4966967
Non-interferometric determination of Berry phases: Precession reversal in noiseless systems
J. Chem. Phys. 145, 184105 (2016)
https://doi.org/10.1063/1.4966964
A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions
J. Chem. Phys. 145, 184106 (2016)
https://doi.org/10.1063/1.4966966
A phenomenological continuum model for force-driven nano-channel liquid flows
J. Chem. Phys. 145, 184109 (2016)
https://doi.org/10.1063/1.4967294
scaling method to evaluate the ion–electron potential of crystalline solids
J. Chem. Phys. 145, 184110 (2016)
https://doi.org/10.1063/1.4967319
Minimum action transition paths connecting minima on an energy surface
J. Chem. Phys. 145, 184111 (2016)
https://doi.org/10.1063/1.4966974
DFT and TDDFT study on cation-π complexes of diboryne (NHC → B ≡ B←NHC)
J. Chem. Phys. 145, 184112 (2016)
https://doi.org/10.1063/1.4967252
A framework for discrete stochastic simulation on 3D moving boundary domains
J. Chem. Phys. 145, 184113 (2016)
https://doi.org/10.1063/1.4967338
Global Langevin model of multidimensional biomolecular dynamics
J. Chem. Phys. 145, 184114 (2016)
https://doi.org/10.1063/1.4967341
Advanced Experimental Techniques
Photodesorption of NO from Au(100) using 3D surface-velocity map imaging
J. Chem. Phys. 145, 184201 (2016)
https://doi.org/10.1063/1.4967248
Atoms, Molecules, and Clusters
Symmetry analysis of Raman scattering mediated by neighboring molecules
J. Chem. Phys. 145, 184301 (2016)
https://doi.org/10.1063/1.4966238
Fourier-transform microwave spectroscopy of a halogen substituted Criegee intermediate ClCHOO
J. Chem. Phys. 145, 184304 (2016)
https://doi.org/10.1063/1.4967250
Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations
J. Chem. Phys. 145, 184307 (2016)
https://doi.org/10.1063/1.4967168
Liquids, Glasses, and Crystals
Droplet-like heterogeneity of aqueous tetrahydrofuran solutions at the submicrometer scale
J. Chem. Phys. 145, 184501 (2016)
https://doi.org/10.1063/1.4966187
Collective excitations and viscosity in liquid Bi
J. Chem. Phys. 145, 184502 (2016)
https://doi.org/10.1063/1.4965429
Thermodiffusion of polycyclic aromatic hydrocarbons in binary mixtures
J. Chem. Phys. 145, 184503 (2016)
https://doi.org/10.1063/1.4966191
Kinetic stability and energetics of simulated glasses created
by constant pressure cooling
J. Chem. Phys. 145, 184505 (2016)
https://doi.org/10.1063/1.4967337
Surfaces, Interfaces, and Materials
Silicon-wall interfacial free energy via thermodynamics integration
J. Chem. Phys. 145, 184702 (2016)
https://doi.org/10.1063/1.4966975
The double-layer structure of overscreened surfaces by smeared-out ions
J. Chem. Phys. 145, 184703 (2016)
https://doi.org/10.1063/1.4967257
Polymers and Soft Matter
Association of a multifunctional ionic block copolymer in a selective solvent
J. Chem. Phys. 145, 184903 (2016)
https://doi.org/10.1063/1.4967291
Biological Molecules and Networks
Non-exponential kinetics of unfolding under a constant force
J. Chem. Phys. 145, 185102 (2016)
https://doi.org/10.1063/1.4966922
Information management in DNA replication modeled by directional, stochastic chains with memory
J. Chem. Phys. 145, 185103 (2016)
https://doi.org/10.1063/1.4967335
LETTERS TO THE EDITOR
Notes
Note: The performance of new density functionals for a recent blind test of non-covalent interactions
J. Chem. Phys. 145, 186101 (2016)
https://doi.org/10.1063/1.4967424
