Cut-off Scale and Complex Formation in Density Functional Theory Computations of Epoxy-Amine Reactivity Posted on March 7, 2023September 16, 2024 by Anonymous
Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR Posted on March 7, 2023November 25, 2024 by Anonymous
Achieving Narrow FWHM and High EQE Over 38% in Blue OLEDs Using Rigid Heteroatom-Based Deep Blue TADF Sensitized Host Posted on March 7, 2023September 16, 2024 by Anonymous
Modular Synthesis of Fully Degradable Imine-Based Semiconducting p-Type and n-Type Polymers Posted on March 7, 2023September 16, 2024 by Anonymous
Systematic Designs of Dicationic Heteroarylpyridiniums as Negolytes for Nonaqueous Redox Flow Batteries Posted on March 7, 2023September 16, 2024 by Anonymous
The effect of the electron-donor ability on the OLED efficiency of twisted donor-acceptor type emitters Posted on March 7, 2023September 16, 2024 by Anonymous
Enhancement of Reverse Intersystem Crossing in Charge-Transfer Molecule through Internal Heavy Atom Effect Posted on March 7, 2023September 16, 2024 by Anonymous
Dihedral Angle Distribution of Thermally Activated Delayed Fluorescence Molecules in Solids Induces Dual Phosphorescence from Charge-Transfer and Local Triplet States Posted on March 7, 2023September 16, 2024 by Anonymous
Rotational Isomerism of an Amide Substituted Squaraine Dye: A Combined Spectroscopic and Computational Study Posted on March 7, 2023September 16, 2024 by Anonymous
A study on the growth mechanism and gas diffusion barrier property of homogeneously mixed silicon-tin oxide by atomic layer deposition Posted on March 7, 2023September 16, 2024 by Anonymous
Accelerated design and optimization of novel OLED materials via active learning Posted on March 7, 2023September 16, 2024 by Anonymous
Pseudospectral Implementations of Long-Range Corrected (PS-LRC) Density Functional Theory Posted on March 7, 2023September 16, 2024 by Anonymous