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B97-3c: A revised low-cost variant of the B97-D density functional method
Vibrational treatment of the formic acid double minimum case in valence coordinates
ARTICLES
Theoretical Methods and Algorithms
Classical coherent two-dimensional vibrational spectroscopy
J. Chem. Phys. 148, 064101 (2018)
https://doi.org/10.1063/1.5017985
Escape rate for nonequilibrium processes dominated by strong non-detailed balance force
J. Chem. Phys. 148, 064102 (2018)
https://doi.org/10.1063/1.5008524
B97-3c: A revised low-cost variant of the B97-D density functional method
J. Chem. Phys. 148, 064104 (2018)
https://doi.org/10.1063/1.5012601
Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals
J. Chem. Phys. 148, 064105 (2018)
https://doi.org/10.1063/1.5017510
A theoretical and experimental benchmark study of core-excited states in nitrogen
J. Chem. Phys. 148, 064106 (2018)
https://doi.org/10.1063/1.5011148
Nanoscale hydrodynamics near solids
J. Chem. Phys. 148, 064107 (2018)
https://doi.org/10.1063/1.5010401
MC-PDFT can calculate singlet–triplet splittings of organic diradicals
J. Chem. Phys. 148, 064108 (2018)
https://doi.org/10.1063/1.5017132
Molecular dynamics simulation of ion mobility in gases
J. Chem. Phys. 148, 064109 (2018)
https://doi.org/10.1063/1.4998955
Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping
J. Chem. Phys. 148, 064110 (2018)
https://doi.org/10.1063/1.5005024
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions
J. Chem. Phys. 148, 064112 (2018)
https://doi.org/10.1063/1.5018818
Remarks on the chemical Fokker-Planck and Langevin equations: Nonphysical currents at equilibrium
J. Chem. Phys. 148, 064114 (2018)
https://doi.org/10.1063/1.5016158
Atoms, Molecules, and Clusters
Three-body dissociation of OCS3+: Separating sequential and concerted pathways
J. Chem. Phys. 148, 064302 (2018)
https://doi.org/10.1063/1.5001121
Vibrational treatment of the formic acid double minimum case in valence coordinates
J. Chem. Phys. 148, 064303 (2018)
https://doi.org/10.1063/1.5005989
Quantum dynamics of ClH2O− photodetachment: Isotope effect and impact of anion vibrational excitation
J. Chem. Phys. 148, 064305 (2018)
https://doi.org/10.1063/1.5020270
Anion photoelectron spectroscopy of deprotonated indole and indoline
J. Chem. Phys. 148, 064307 (2018)
https://doi.org/10.1063/1.5003978
Liquids, Glasses, and Crystals
Effect of alkaline metal cations on the ionic structure of cryolite melts: Ab-initio NpT MD study
J. Chem. Phys. 148, 064501 (2018)
https://doi.org/10.1063/1.5017106
Structural relaxation and highly viscous flow
J. Chem. Phys. 148, 064502 (2018)
https://doi.org/10.1063/1.5017218
Surfaces, Interfaces, and Materials
Orientation-dependent imaging of electronically excited quantum dots
In Special Collection:
JCP Editors' Choice 2018
J. Chem. Phys. 148, 064701 (2018)
https://doi.org/10.1063/1.5012784
Flow of quasi-two dimensional water in graphene channels
J. Chem. Phys. 148, 064702 (2018)
https://doi.org/10.1063/1.5017491
Mobility and settling rate of agglomerates of polydisperse nanoparticles
J. Chem. Phys. 148, 064703 (2018)
https://doi.org/10.1063/1.5012037
Nanobubbles in confined solution: Generation, contact angle, and stability
J. Chem. Phys. 148, 064704 (2018)
https://doi.org/10.1063/1.5010991
Product interactions and feedback in diffusion-controlled reactions
J. Chem. Phys. 148, 064705 (2018)
https://doi.org/10.1063/1.5016608
Pressure control in interfacial systems: Atomistic simulations of vapor nucleation
J. Chem. Phys. 148, 064706 (2018)
https://doi.org/10.1063/1.5011106
Dirac cone in two dimensional bilayer graphene by intercalation with V, Nb, and Ta transition metals
J. Chem. Phys. 148, 064707 (2018)
https://doi.org/10.1063/1.5008996
Molecular simulation of steady-state evaporation and condensation in the presence of a non-condensable gas
J. Chem. Phys. 148, 064708 (2018)
https://doi.org/10.1063/1.5020095
Polymers and Soft Matter
Crystal nucleation in sedimenting colloidal suspensions
J. Chem. Phys. 148, 064901 (2018)
https://doi.org/10.1063/1.4990101
