|
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
|
journal
|
January 2019 |
|
Molecular Design Features for Charge Transport in Nonconjugated Radical Polymers
|
journal
|
July 2021 |
|
Some New Trends in Chemical Graph Theory
|
journal
|
March 2008 |
|
Persistent and Stable Organic Radicals: Design, Synthesis, and Applications
|
journal
|
February 2021 |
|
The impact of radical loading and oxidation on the conformation of organic radical polymers by small angle neutron scattering
|
journal
|
January 2018 |
|
Radical Polymers and Their Application to Organic Electronic Devices
|
journal
|
September 2014 |
|
Automated exploration of the low-energy chemical space with fast quantum chemical methods
|
journal
|
January 2020 |
|
Synthesis and Characterization of Radical-Bearing Polyethers as an Electrode-Active Material for Organic Secondary Batteries
|
journal
|
August 2008 |
|
Relationship between Molecular Structure and Electron Transfer in a Polymeric Nitroxyl-Radical Energy Storage Material
|
journal
|
July 2014 |
|
Electron and ion transport in semi-dilute conjugated polyelectrolytes: view from a coarse-grained tight binding model
|
journal
|
January 2023 |
|
Stable organic radical polymers: synthesis and applications
|
journal
|
January 2016 |
|
Radical Polymers for Organic Electronic Devices: A Radical Departure from Conjugated Polymers?
|
journal
|
June 2009 |
|
Stable Radical Materials for Energy Applications
|
journal
|
June 2018 |
|
Syntheses and Electrochemical Properties of TEMPO Radical Substituted Silicones: Active Material for Organic Radical Batteries: Syntheses and Electrochemical Properties of …
|
journal
|
July 2009 |
|
Ultrafast Estimation of Electronic Couplings for Electron Transfer between π-Conjugated Organic Molecules
|
journal
|
September 2014 |
|
Battery-Inspired, Nonvolatile, and Rewritable Memory Architecture: a Radical Polymer-Based Organic Device
|
journal
|
November 2007 |
|
Air‐Stable Organic Radicals: New‐Generation Materials for Flexible Electronics?
|
journal
|
June 2020 |
|
Resistance distance
|
journal
|
December 1993 |
|
Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations
|
journal
|
April 2019 |
|
A nonconjugated radical polymer glass with high electrical conductivity
|
journal
|
March 2018 |
|
From Molecular Connectivity Indices to Semiempirical Connectivity Terms: Recent Trends in Graph Theoretical Descriptors
|
journal
|
October 2000 |
|
Polymer Data Handbook
|
book
|
May 2009 |
|
Bypassing backmapping: Coarse-grained electronic property distributions using heteroscedastic Gaussian processes
|
journal
|
November 2022 |
|
Quantification of the solid-state charge mobility in a model radical polymer
|
journal
|
May 2014 |
|
Nitroxide radical polymers for emerging plastic energy storage and organic electronics: fundamentals, materials, and applications
|
journal
|
January 2021 |
|
Controlled Radical Polymerization and Quantification of Solid State Electrical Conductivities of Macromolecules Bearing Pendant Stable Radical Groups
|
journal
|
October 2013 |
|
Tight-binding ‘dihedral orbitals’ approach to electronic communicability in macromolecular chains
|
journal
|
November 2007 |
|
The ORCA program system: The ORCA program system
|
journal
|
June 2011 |
|
A Simple Index for Characterizing Charge Transport in Molecular Materials
|
journal
|
March 2015 |
|
Lowest Energy Conformers Dataset for Radical Polymer Design
|
dataset
|
January 2023 |
|
Modeling the Interplay of Conformational and Electronic Structure in Conjugated Polyelectrolytes
|
journal
|
February 2022 |
|
Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network Potentials
|
journal
|
September 2022 |
|
What's new in stable radical chemistry?
|
journal
|
January 2006 |
|
An aqueous, polymer-based redox-flow battery using non-corrosive, safe and low-cost materials
|
journal
|
October 2015 |
|
Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling
|
journal
|
February 2023 |
|
Recent advances in the syntheses of radical-containing macromolecules
|
journal
|
March 2016 |
|
Close Packing of Nitroxide Radicals in Stable Organic Radical Polymeric Materials
|
journal
|
April 2015 |
|
Real-time insight into the doping mechanism of redox-active organic radical polymers
|
journal
|
November 2018 |
|
100th Anniversary of Macromolecular Science Viewpoint: Fundamentals for the Future of Macromolecular Nitroxide Radicals
|
journal
|
February 2020 |
|
Density of States and the Role of Energetic Disorder in Charge Transport in an Organic Radical Polymer in the Solid State
|
journal
|
September 2015 |
|
Molecular Dynamics Simulation Study of Solvent and State of Charge Effects on Solid-Phase Structure and Counterion Binding in a Nitroxide Radical Containing Polymer Energy Storage Material
|
journal
|
November 2016 |
|
Modeling of spin–spin distance distributions for nitroxide labeled biomacromolecules
|
journal
|
January 2020 |
|
Open Babel: An open chemical toolbox
|
journal
|
October 2011 |
|
6-Oxoverdazyl radical polymers with tunable electrochemical properties
|
journal
|
January 2014 |
|
Influence of Alkyl Chain Spacer Length on the Charge Carrier Mobility of Isotactic Poly(N-carbazolylalkyl acrylates)
|
journal
|
May 2021 |
|
Organic Radical Battery Approaching Practical Use
|
journal
|
March 2011 |
|
Design of an n-type low glass transition temperature radical polymer
|
journal
|
January 2021 |
|
Ultrafast estimation of electronic couplings for electron transfer between pi-conjugated organic molecules. II
|
journal
|
December 2021 |
|
Diffusion-Cooperative Model for Charge Transport by Redox-Active Nonconjugated Polymers
|
journal
|
January 2018 |
|
Charge transport network dynamics in molecular aggregates
|
journal
|
July 2016 |
|
Nitroxide radical polymers – a versatile material class for high-tech applications
|
journal
|
January 2018 |
|
Organic Radical Polymers
|
book
|
January 2017 |
|
Resonances and interference effects on the effective electronic coupling in electron transfer
|
journal
|
August 1994 |
|
MATERIALS SCIENCE: Toward Flexible Batteries
|
journal
|
February 2008 |
|
Applications of graph theory in chemistry
|
journal
|
August 1985 |
|
Polypeptide organic radical batteries
|
journal
|
May 2021 |
|
ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data
|
journal
|
April 2016 |
|
Electronic and Spintronic Open-Shell Macromolecules, Quo Vadis?
|
journal
|
January 2022 |
|
n-Type organic semiconducting polymers: stability limitations, design considerations and applications
|
journal
|
January 2021 |