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Gas-phase studies of chemically synthesized Au and Ag
clusters
Overcoming finite-size effects in electronic structure simulations at extreme conditions
Measurements and characterization of the dynamics of tracer particles in an actin network
PERSPECTIVES
Gas-phase studies of chemically synthesized Au and Ag
clusters
In Special Collection:
JCP Editors' Choice 2021
J. Chem. Phys. 154, 140901 (2021)
https://doi.org/10.1063/5.0041812
ARTICLES
Theoretical Methods and Algorithms
Validating fewest-switches surface hopping in the presence of laser fields
In Special Collection:
Quantum Dynamics with ab Initio Potentials
J. Chem. Phys. 154, 144102 (2021)
https://doi.org/10.1063/5.0044807
Overcoming finite-size effects in electronic structure simulations at extreme conditions
J. Chem. Phys. 154, 144103 (2021)
https://doi.org/10.1063/5.0045634
Probing photoinduced proton coupled electron transfer process by means of two-dimensional resonant electronic–vibrational spectroscopy
In Special Collection:
Coherent Multidimensional Spectroscopy
J. Chem. Phys. 154, 144104 (2021)
https://doi.org/10.1063/5.0046755
Multilevel summation for periodic electrostatics using B-splines
J. Chem. Phys. 154, 144105 (2021)
https://doi.org/10.1063/5.0040925
Multi-layer Gaussian-based multi-configuration time-dependent Hartree (ML-GMCTDH) simulations of ultrafast charge separation in a donor–acceptor complex
In Special Collection:
Quantum Dynamics with ab Initio Potentials
J. Chem. Phys. 154, 144106 (2021)
https://doi.org/10.1063/5.0046933
Local decomposition of hybridization functions: Chemical insight into correlated molecular adsorbates
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 144108 (2021)
https://doi.org/10.1063/5.0045640
Generalized nonorthogonal matrix elements: Unifying Wick’s theorem and the Slater–Condon rules
J. Chem. Phys. 154, 144109 (2021)
https://doi.org/10.1063/5.0045442
Advanced Experimental Techniques
Correlation of high-field and zero- to ultralow-field NMR properties using 2D spectroscopy
In Special Collection:
Coherent Multidimensional Spectroscopy
J. Chem. Phys. 154, 144201 (2021)
https://doi.org/10.1063/5.0039294
Atoms, Molecules, and Clusters
Formation of covalently bound C4 upon electron-impact ionization of acetylene dimer
J. Chem. Phys. 154, 144301 (2021)
https://doi.org/10.1063/5.0045531
Exploring the anharmonic vibrational structure of carbon dioxide trimers
J. Chem. Phys. 154, 144302 (2021)
https://doi.org/10.1063/5.0039793
Multi- and single-reference methods for the analysis of multi-state peroxidation of enolates
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 144303 (2021)
https://doi.org/10.1063/5.0046906
A post-HF approach to the sunscreen octyl methoxycinnamate
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 144304 (2021)
https://doi.org/10.1063/5.0046118
Time-resolved photoelectron imaging of complex resonances in molecular nitrogen
J. Chem. Phys. 154, 144305 (2021)
https://doi.org/10.1063/5.0046577
Understanding the structure of complex multidimensional wave functions. A case study of excited vibrational states of ammonia
In Special Collection:
Quantum Dynamics with ab Initio Potentials
J. Chem. Phys. 154, 144306 (2021)
https://doi.org/10.1063/5.0043946
A close coupling study of the bending relaxation of H2O by collision with He
J. Chem. Phys. 154, 144307 (2021)
https://doi.org/10.1063/5.0047718
Liquids, Glasses, and Crystals
Solvation of simple ions in water at extreme conditions
J. Chem. Phys. 154, 144501 (2021)
https://doi.org/10.1063/5.0046193
Thermodynamic, transport, and structural properties of hydrophobic deep eutectic solvents composed of tetraalkylammonium chloride and decanoic acid
In Special Collection:
Chemical Physics of Deep Eutectic Solvents
J. Chem. Phys. 154, 144502 (2021)
https://doi.org/10.1063/5.0047369
Molecular dynamics study of water confined in MIL-101 metal–organic frameworks
In Special Collection:
Fluids in Nanopores
J. Chem. Phys. 154, 144503 (2021)
https://doi.org/10.1063/5.0040909
Identifying the structural relaxation dynamics in a strongly asymmetric binary glass former
J. Chem. Phys. 154, 144504 (2021)
https://doi.org/10.1063/5.0046361
Materials, Surfaces, and Interfaces
Phase relations and thermoelasticity of magnesium silicide at high pressure and temperature
J. Chem. Phys. 154, 144701 (2021)
https://doi.org/10.1063/5.0044648
Molecular simulation study of 3,4-dihydroxyphenylalanine in the context of underwater adhesive design
In Special Collection:
Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
J. Chem. Phys. 154, 144702 (2021)
https://doi.org/10.1063/5.0044173
Crystallization kinetics of amorphous acetonitrile nanoscale films
In Special Collection:
Fluids in Nanopores
J. Chem. Phys. 154, 144703 (2021)
https://doi.org/10.1063/5.0045461
Polymers and Soft Matter
Measurements and characterization of the dynamics of tracer particles in an actin network
In Special Collection:
JCP Editors' Choice 2021
J. Chem. Phys. 154, 144901 (2021)
https://doi.org/10.1063/5.0045278
Salt partitioning in ionized, thermo-responsive hydrogels: perspective to water desalination
J. Chem. Phys. 154, 144902 (2021)
https://doi.org/10.1063/5.0044376
The effect of ion pairs on coacervate-driven self-assembly of block polyelectrolytes
J. Chem. Phys. 154, 144903 (2021)
https://doi.org/10.1063/5.0044845
Mechanism of periodic field driven self-assembly process
J. Chem. Phys. 154, 144904 (2021)
https://doi.org/10.1063/5.0048072
