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Diagrammatic method for tunable interactions in colloidal suspensions in rotating electric or magnetic fields
Rapid deconvolution of low-resolution time-of-flight data using Bayesian inference
PERSPECTIVES
COMMUNICATIONS
Enhanced triplet state generation through radical pair intermediates in BODIPY-quantum dot complexes
In Special Collection:
Ultrafast molecular sciences by femtosecond photons and electrons
J. Chem. Phys. 151, 241101 (2019)
https://doi.org/10.1063/1.5136045
Curing basis set overcompleteness with pivoted Cholesky decompositions
J. Chem. Phys. 151, 241102 (2019)
https://doi.org/10.1063/1.5139948
Survey of transient process during melting of silver below the equilibrium melting point
J. Chem. Phys. 151, 241103 (2019)
https://doi.org/10.1063/1.5133080
Simulating nanocrystal-based solar cells: A lead sulfide case study
In Special Collection:
Colloidal Quantum Dots
J. Chem. Phys. 151, 241104 (2019)
https://doi.org/10.1063/1.5129159
ARTICLES
Theoretical Methods and Algorithms
Large-Z limit in atoms and solids from first principles
J. Chem. Phys. 151, 244101 (2019)
https://doi.org/10.1063/1.5129397
Diagrammatic method for tunable interactions in colloidal suspensions in rotating electric or magnetic fields
In Special Collection:
JCP Emerging Investigators Special Collection
J. Chem. Phys. 151, 244103 (2019)
https://doi.org/10.1063/1.5131255
Comparative study of methodologies for calculating metastable states of small to medium-sized molecules
In Special Collection:
Ultrafast molecular sciences by femtosecond photons and electrons
J. Chem. Phys. 151, 244104 (2019)
https://doi.org/10.1063/1.5134700
Evidence of information limitations in coarse-grained models
In Special Collection:
JCP Emerging Investigators Special Collection
J. Chem. Phys. 151, 244105 (2019)
https://doi.org/10.1063/1.5129398
Energy decomposition analysis based on broken symmetry unrestricted density functional theory
J. Chem. Phys. 151, 244106 (2019)
https://doi.org/10.1063/1.5114611
Generalized quantum cumulant dynamics
J. Chem. Phys. 151, 244107 (2019)
https://doi.org/10.1063/1.5130754
Phase-space resolved rates in driven multidimensional chemical reactions
J. Chem. Phys. 151, 244108 (2019)
https://doi.org/10.1063/1.5127539
An analysis of isomorphic RPMD in the golden rule limit
J. Chem. Phys. 151, 244109 (2019)
https://doi.org/10.1063/1.5138913
Wavepacket golden rule treatment of interparticle Coulombic decay in paired quantum dots
J. Chem. Phys. 151, 244111 (2019)
https://doi.org/10.1063/1.5131849
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
In Special Collection:
JCP Editors' Choice 2019
J. Chem. Phys. 151, 244112 (2019)
https://doi.org/10.1063/1.5133059
Stochastic many-body perturbation theory for electron correlation energies
J. Chem. Phys. 151, 244114 (2019)
https://doi.org/10.1063/1.5128719
Identification of important normal modes in nonadiabatic dynamics simulations by coherence, correlation, and frequency analyses
In Special Collection:
Ultrafast molecular sciences by femtosecond photons and electrons
J. Chem. Phys. 151, 244115 (2019)
https://doi.org/10.1063/1.5129335
Dynamics of a one-dimensional Holstein polaron: The multiconfigurational Ehrenfest method
J. Chem. Phys. 151, 244116 (2019)
https://doi.org/10.1063/1.5132341
Stochastic self-tuning hybrid algorithm for reaction-diffusion systems
J. Chem. Phys. 151, 244117 (2019)
https://doi.org/10.1063/1.5125022
Laser-induced dynamics of molecules with strong nuclear quadrupole coupling
J. Chem. Phys. 151, 244118 (2019)
https://doi.org/10.1063/1.5133837
Mediation of resonance energy transfer by two polarisable particles
J. Chem. Phys. 151, 244119 (2019)
https://doi.org/10.1063/1.5134864
Efficient calculation of NMR isotopic shifts: Difference-dedicated vibrational perturbation theory
J. Chem. Phys. 151, 244120 (2019)
https://doi.org/10.1063/1.5134538
An adiabatic connection for doubly-occupied configuration interaction wave functions
J. Chem. Phys. 151, 244121 (2019)
https://doi.org/10.1063/1.5130660
Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations
In Special Collection:
JCP Emerging Investigators Special Collection
J. Chem. Phys. 151, 244123 (2019)
https://doi.org/10.1063/1.5128956
Accurate calculation of zero point energy from molecular dynamics simulations of liquids and their mixtures
J. Chem. Phys. 151, 244124 (2019)
https://doi.org/10.1063/1.5131145
Charge-transfer plasmons with narrow conductive molecular bridges: A quantum-classical theory
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 151, 244125 (2019)
https://doi.org/10.1063/1.5131734
Advanced Experimental Techniques
The application of novel Ir-NHC polarization transfer complexes by SABRE
J. Chem. Phys. 151, 244201 (2019)
https://doi.org/10.1063/1.5128091
Atoms, Molecules, and Clusters
Reactions of C+ + , , and —A comparison of theory and experiment
J. Chem. Phys. 151, 244301 (2019)
https://doi.org/10.1063/1.5126689
Spectroscopic investigation of [Al,N,C,O] refractory molecules
J. Chem. Phys. 151, 244303 (2019)
https://doi.org/10.1063/1.5125268
Hydrogenation of small hydrocarbons on MgO supported Pd nanoparticles: The A-E-model expanded
In Special Collection:
Catalytic Properties of Model Supported Nanoparticles
J. Chem. Phys. 151, 244304 (2019)
https://doi.org/10.1063/1.5129571
Rapid deconvolution of low-resolution time-of-flight data using Bayesian inference
J. Chem. Phys. 151, 244307 (2019)
https://doi.org/10.1063/1.5129343
Magnetic field effects in rigidly linked D-A dyads: Extreme on-resonance quantum coherence effect on charge recombination
In Special Collection:
Spin Chemistry
J. Chem. Phys. 151, 244308 (2019)
https://doi.org/10.1063/1.5131056
Liquids, Glasses, and Crystals
Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen
J. Chem. Phys. 151, 244501 (2019)
https://doi.org/10.1063/1.5131329
Surfaces, Interfaces, and Materials
Facile synthesis of manganese (II)-doped ZnSe nanocrystals with controlled dimensionality
In Special Collection:
Colloidal Quantum Dots
J. Chem. Phys. 151, 244701 (2019)
https://doi.org/10.1063/1.5128511
Low-magnetic field effect and electrically detected magnetic resonance measurements of photocurrent in vacuum vapor deposition films of weak charge-transfer pyrene/dimethylpyromellitdiimide (Py/DMPI) complex
In Special Collection:
Spin Chemistry
J. Chem. Phys. 151, 244704 (2019)
https://doi.org/10.1063/1.5129188
Helicity-dependent terahertz photocurrent and phonon dynamics in hybrid metal halide perovskites
In Special Collection:
Lead Halide Perovskites
J. Chem. Phys. 151, 244706 (2019)
https://doi.org/10.1063/1.5127767
Tensile control of the thermal flow in plasmonic heaters realized on flexible substrates
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 151, 244707 (2019)
https://doi.org/10.1063/1.5130725
Decoration of plasmonic Mg nanoparticles by partial galvanic replacement
In Special Collection:
Emerging Directions in Plasmonics
J. Chem. Phys. 151, 244708 (2019)
https://doi.org/10.1063/1.5131703
Polymers and Soft Matter
Confined crowded polymers near attractive surfaces
J. Chem. Phys. 151, 244901 (2019)
https://doi.org/10.1063/1.5115284
Voltage-driven translocation: Defining a capture radius
J. Chem. Phys. 151, 244902 (2019)
https://doi.org/10.1063/1.5134076
Dynamics of an active semi-flexible filament in a spherical cavity
J. Chem. Phys. 151, 244904 (2019)
https://doi.org/10.1063/1.5132757
Biological Molecules and Networks
Spin effects as a tool to study photoinduced processes in (S/R)-ketoprofen-(S)-N-methylpyrrolidine dyads
In Special Collection:
Spin Chemistry
J. Chem. Phys. 151, 245101 (2019)
https://doi.org/10.1063/1.5128043
Fast-pulsing LED-enhanced NMR: A convenient and inexpensive approach to increase NMR sensitivity
In Special Collection:
Spin Chemistry
J. Chem. Phys. 151, 245102 (2019)
https://doi.org/10.1063/1.5131452
Tannin-controlled micelles and fibrils of κ-casein
J. Chem. Phys. 151, 245103 (2019)
https://doi.org/10.1063/1.5128057
