Qin Wu
0000-0001-6350-6672
Brookhaven National Laboratory
48 papers found
Refreshing results…
PolyODENet: Deriving mass-action rate equations from incomplete transient kinetics data
NWChem: Past, present, and future
Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery
Multiply Reduced Oligofluorenes: Their Nature and Pairing with THF-Solvated Sodium Ions
A 'Roller-Wheel' Pt-Containing Small Molecule that Outperforms Its Polymer Analogs in Organic Solar Cells
Fast Singlet Exciton Decay in Push–Pull Molecules Containing Oxidized Thiophenes
Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes
A design strategy for intramolecular singlet fission mediated by charge-transfer states in donor–acceptor organic materials
Charge Transfer Fluorescence and 34 nm Exciton Diffusion Length in Polymers with Electron Acceptor End Traps
Polymerization of Tellurophene Derivatives by Microwave-Assisted Palladium-Catalyzed ipso -Arylative Polymerization
Variational nature of the frozen density energy in density-based energy decomposition analysis and its application to torsional potentials
Improved parameterization of interatomic potentials for rare gas dimers with density-based energy decomposition analysis
Charge self-localization in π-conjugated polymers by long range corrected hybrid functionals
Quantifying the Relationship between the Maximum Achievable Voltage and Current Levels in Low-Bandgap Polymer Photovoltaics
Polarons, Bipolarons, and Side-By-Side Polarons in Reduction of Oligofluorenes
A complementary disk-shaped π electron donor–acceptor pair with high binding affinity
Molecular Binding Energies from Partition Density Functional Theory
Directional Dependence of Hydrogen Bonds: A Density-Based Energy Decomposition Analysis and Its Implications on Force Field Development
Intramolecular π-Stacking Interactions of Bridged Bis-p-Phenylenediamine Radical Cations and Diradical Dications: Charge-Transfer versus Spin-Coupling
Nanostructured electrodes for organic bulk heterojunction solar cells: Model study using carbon nanotube dispersed polythiophene-fullerene blend devices
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