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Gardner physics in amorphous solids and beyond
Supramolecular copolymers predominated by alternating order: Theory and application
Aspects of semiconductivity in soft, porous metal-organic framework crystals
PERSPECTIVES
Gardner physics in amorphous solids and beyond
J. Chem. Phys. 151, 010901 (2019)
https://doi.org/10.1063/1.5097175
ARTICLES
Theoretical Methods and Algorithms
Nonlinear transport coefficients from large deviation functions
In Special Collection:
JCP Editors' Choice 2019
J. Chem. Phys. 151, 014101 (2019)
https://doi.org/10.1063/1.5110507
A thermal orbital-free density functional approach
J. Chem. Phys. 151, 014103 (2019)
https://doi.org/10.1063/1.5100231
Multiple time scale open systems: Reaction rates and quantum coherence in model retinal photoisomerization under incoherent excitation
In Special Collection:
Dynamics of Open Quantum Systems
J. Chem. Phys. 151, 014104 (2019)
https://doi.org/10.1063/1.5099969
Simulating conical intersection dynamics in the condensed phase with hybrid quantum master equations
In Special Collection:
Dynamics of Open Quantum Systems
J. Chem. Phys. 151, 014106 (2019)
https://doi.org/10.1063/1.5106379
Path integral Monte Carlo simulation of degenerate electrons: Permutation-cycle properties
J. Chem. Phys. 151, 014108 (2019)
https://doi.org/10.1063/1.5093171
When can quantum decoherence be mimicked by classical noise?
In Special Collection:
Dynamics of Open Quantum Systems
J. Chem. Phys. 151, 014109 (2019)
https://doi.org/10.1063/1.5099499
Modeling of interaction induced polarizability of H2-H, numerical analysis
J. Chem. Phys. 151, 014111 (2019)
https://doi.org/10.1063/1.5100265
Micki: A python-based object-oriented microkinetic modeling code
In Special Collection:
Chemical Physics Software Collection
J. Chem. Phys. 151, 014112 (2019)
https://doi.org/10.1063/1.5109116
Effective non-adiabatic Hamiltonians for the quantum nuclear motion over coupled electronic states
J. Chem. Phys. 151, 014113 (2019)
https://doi.org/10.1063/1.5097899
Using phase-space Gaussians to compute the vibrational states of OCHCO+
J. Chem. Phys. 151, 014114 (2019)
https://doi.org/10.1063/1.5096770
Energy-weighted density matrix embedding of open correlated chemical fragments
In Special Collection:
Dynamics of Open Quantum Systems
J. Chem. Phys. 151, 014115 (2019)
https://doi.org/10.1063/1.5100290
Atoms, Molecules, and Clusters
Evaluation of experimental alkali metal ion–ligand noncovalent bond strengths with DLPNO-CCSD(T) method
J. Chem. Phys. 151, 014301 (2019)
https://doi.org/10.1063/1.5099580
Principles of enantio-selective excitation in three-wave mixing spectroscopy of chiral molecules
J. Chem. Phys. 151, 014302 (2019)
https://doi.org/10.1063/1.5097406
Liquids, Glasses, and Crystals
Transitions in pressure-amorphized clathrate hydrates akin to those of amorphous ices
In Special Collection:
Chemical Physics of Supercooled Water
J. Chem. Phys. 151, 014502 (2019)
https://doi.org/10.1063/1.5096981
Vitrification and increase of basicity in between ice Ih crystals in rapidly frozen dilute NaCl aqueous solutions
In Special Collection:
Chemical Physics of Supercooled Water
J. Chem. Phys. 151, 014503 (2019)
https://doi.org/10.1063/1.5100852
Surfaces, Interfaces, and Materials
Mechanical behavior of (Ni, Fe)Cr2O4 spinel grain boundaries studied by molecular dynamics simulations
J. Chem. Phys. 151, 014701 (2019)
https://doi.org/10.1063/1.5100586
Polymers and Soft Matter
Force-displacement relations at compression of dsDNA macromolecules
J. Chem. Phys. 151, 014901 (2019)
https://doi.org/10.1063/1.5099522
Supramolecular copolymers predominated by alternating order: Theory and application
In Special Collection:
JCP Editors' Choice 2019
J. Chem. Phys. 151, 014902 (2019)
https://doi.org/10.1063/1.5097577
Biological Molecules and Networks
Trehalose-induced slowdown of lysozyme hydration dynamics probed by EDLS spectroscopy
In Special Collection:
Chemical Physics of Supercooled Water
J. Chem. Phys. 151, 015101 (2019)
https://doi.org/10.1063/1.5099588
Aspects of semiconductivity in soft, porous metal-organic framework crystals
In Special Collection:
JCP Editors' Choice 2019
J. Chem. Phys. 151, 015102 (2019)
https://doi.org/10.1063/1.5108995
