Skip Nav Destination
Fast-forward Langevin dynamics with momentum flips
The effect of sampling techniques used in the multiconfigurational Ehrenfest method
High-level theoretical characterization of the vinoxy radical (•CH2CHO) + O2 reaction
Peristalticity-driven banded chemical garden
Composition inversion in mixtures of binary colloids and polymer
COMMUNICATIONS
Communication: Symmetrical quasi-classical analysis of linear optical spectroscopy
J. Chem. Phys. 148, 181102 (2018)
https://doi.org/10.1063/1.5031788
ARTICLES
Theoretical Methods and Algorithms
On the possibility of singlet fission in crystalline quaterrylene
J. Chem. Phys. 148, 184101 (2018)
https://doi.org/10.1063/1.5027553
Nucleus-size pinning for determination of nucleation free-energy barriers and nucleus geometry
J. Chem. Phys. 148, 184104 (2018)
https://doi.org/10.1063/1.5021602
Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods
J. Chem. Phys. 148, 184105 (2018)
https://doi.org/10.1063/1.5025942
Nonlocal kinetic energy functionals by functional integration
J. Chem. Phys. 148, 184107 (2018)
https://doi.org/10.1063/1.5023926
Telegraph noise in Markovian master equation for electron transport through molecular junctions
J. Chem. Phys. 148, 184108 (2018)
https://doi.org/10.1063/1.5033354
Fast-forward Langevin dynamics with momentum flips
J. Chem. Phys. 148, 184109 (2018)
https://doi.org/10.1063/1.5029833
The effect of sampling techniques used in the multiconfigurational Ehrenfest method
J. Chem. Phys. 148, 184113 (2018)
https://doi.org/10.1063/1.5020567
An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations
J. Chem. Phys. 148, 184114 (2018)
https://doi.org/10.1063/1.5030339
Advanced Experimental Techniques
Two-dimensional Fano lineshapes: Excited-state absorption contributions
J. Chem. Phys. 148, 184201 (2018)
https://doi.org/10.1063/1.5019376
Atoms, Molecules, and Clusters
A full-dimensional potential energy surface and quantum dynamics of inelastic collision process for H2–HF
J. Chem. Phys. 148, 184301 (2018)
https://doi.org/10.1063/1.5030384
Vacuum ultraviolet photoionization cross section of the hydroxyl radical
J. Chem. Phys. 148, 184302 (2018)
https://doi.org/10.1063/1.5024249
Contrast between the mechanisms for dissociative electron attachment to CH3SCN and CH3NCS
J. Chem. Phys. 148, 184303 (2018)
https://doi.org/10.1063/1.5026802
Stabilities of protonated water-ammonia clusters
J. Chem. Phys. 148, 184306 (2018)
https://doi.org/10.1063/1.5023620
Stark effect of Kramers-Henneberger atoms
J. Chem. Phys. 148, 184307 (2018)
https://doi.org/10.1063/1.5025525
High-level theoretical characterization of the vinoxy radical (•CH2CHO) + O2 reaction
J. Chem. Phys. 148, 184308 (2018)
https://doi.org/10.1063/1.5026295
Liquids, Glasses, and Crystals
Interplay between translational diffusion and large-amplitude angular jumps of water molecules
J. Chem. Phys. 148, 184502 (2018)
https://doi.org/10.1063/1.5017935
Surfaces, Interfaces, and Materials
Peristalticity-driven banded chemical garden
J. Chem. Phys. 148, 184701 (2018)
https://doi.org/10.1063/1.5023465
Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties
J. Chem. Phys. 148, 184702 (2018)
https://doi.org/10.1063/1.5021753
Polymers and Soft Matter
The folding pathways and thermodynamics of semiflexible polymers
J. Chem. Phys. 148, 184901 (2018)
https://doi.org/10.1063/1.5018114
Composition inversion in mixtures of binary colloids and polymer
J. Chem. Phys. 148, 184902 (2018)
https://doi.org/10.1063/1.5023393
