Zexing Qu
0000-0003-3445-4003
23 papers found
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Importance of Spin Channels from Radical–Radical Reactions in Hydrogen–Oxygen Combustion Mechanisms at High Temperatures
Diradical-Based Strategy in Designing Narrowband Thermally Activated Delayed Fluorescence Molecules with Tunable Emission Wavelengths
Ultrafast vibrational energy redistribution in cyclotrimethylene trinitramine (RDX)
Energy transfer from two luteins to chlorophylls in light-harvesting complex II study by using exciton models with phase correction
Origin of Small Singlet-Triplet Energy Gaps and Novel Molecule-Design Principle for Multi-Resonance Thermally Activated Delayed Fluorescence Emitters
Benchmark Study on Phosphorescence Energies of Anthraquinone Compounds: Comparison between TDDFT and UDFT
Controlling the repair mechanisms of oxetanes through functional group substitution
Intermolecular resonance energy transfer between two lutein pigments in light-harvesting complex II studied by frenkel exciton models
Mesomerism induced temperature-dependent multicomponent phosphorescence emissions in ClBDBT
Dearomatization of Benzenoid Arenes Triggered by Triplet Excited State Intramolecular Proton Transfer
Minimal Active Space for Diradicals Using Multistate Density Functional Theory
Top-Down Rational Engineering of Heteroatom-Doped Graphene Quantum Dots for Laser Desorption/Ionization Mass Spectrometry Detection and Imaging of Small Biomolecules
Community Reaction Network Reduction for Constructing a Coarse-Grained Representation of Combustion Reaction Mechanisms
A theoretical roadmap for the best oxygen reduction activity in two-dimensional transition metal tellurides
Generation of singlet oxygen catalyzed by the room-temperature-stable anthraquinone anion radical
Lack of the ESIPT band of aromatic ortho-aminoaldehyde derivatives triggered by N–H vibration
A new permutation-symmetry-adapted machine learning diabatization procedure and its application in MgH2 system
Theoretical Study of a Two-Photon Fluorescent Probe Based on Nile Red Derivatives with Controllable Fluorescence Wavelength and Water Solubility
Impact of ΔEST on Delayed Fluorescence Rate, Lifetime, and Intensity Ratio of Tetrahedral Cu(I) Complexes: Theoretical Simulation in Solution and Solid Phases
Correction to Variational Multistate Density Functional Theory for a Balanced Treatment of Static and Dynamic Correlations
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