Yuxiang Bu

Jinan, 250100, China

Last Updated: 09/26/2026

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Found 93 publications

Predicting Excited-State Energies from Ground-State Descriptors in Thermally Fluctuating π-Conjugated Molecules.

Predicting Excited-State Energies from Ground-State Descriptors in Thermally Fluctuating π-Conjugated Molecules.

Journal: Journal of chemical theory and computation

Published: July 07, 2026

Synergistic dual steric-electronic effects of bay-substituents on singlet fission in perylene diimide derivatives.

Synergistic dual steric-electronic effects of bay-substituents on singlet fission in perylene diimide derivatives.

Journal: Physical chemistry chemical physics : PCCP

Published: July 07, 2026

Emergent Supermonomer Directs Spatially Separated Triplet Pair Generation in Dynamic Oligomers.

Emergent Supermonomer Directs Spatially Separated Triplet Pair Generation in Dynamic Oligomers.

Journal: Angewandte Chemie (International ed. in English)

Published: May 05, 2026

Efficient Ammonia Synthesis on Electride-Supported Single-Atom Sc Catalysts through Electron-Buffered N2 Activation and Subsurface-Hydrogen-Assisted Hydrogenation.

Efficient Ammonia Synthesis on Electride-Supported Single-Atom Sc Catalysts through Electron-Buffered N2 Activation and Subsurface-Hydrogen-Assisted Hydrogenation.

Journal: JACS Au

Published: May 04, 2026

Enhanced Conductivity In Multi-Copper-Mediated Thieno-Expanded and Sulfur-Substituted Purine Base Pairs.

Enhanced Conductivity In Multi-Copper-Mediated Thieno-Expanded and Sulfur-Substituted Purine Base Pairs.

Journal: The journal of physical chemistry. B

Published: May 02, 2026

Orbital Topology Overcomes Energetic Constraints: Conjugation Expansion Breaks the Inverse Relationship between SOMO Splitting and Spin Coupling for Giant Ferromagnetic Coupling in Organic Diradicals.

Orbital Topology Overcomes Energetic Constraints: Conjugation Expansion Breaks the Inverse Relationship between SOMO Splitting and Spin Coupling for Giant Ferromagnetic Coupling in Organic Diradicals.

Journal: The journal of physical chemistry letters

Published: March 16, 2026

Radical-Radical Interactions among Reduced Uracil Bases, Including Uracil Anion Radical and Hydrogenated Uracil Radical.

Radical-Radical Interactions among Reduced Uracil Bases, Including Uracil Anion Radical and Hydrogenated Uracil Radical.

Journal: The journal of physical chemistry. A

Published: March 09, 2026

Water Radiolysis Enables CO2-Activated Radical Recycling of Spent Lithium-Ion Cathodes.

Water Radiolysis Enables CO2-Activated Radical Recycling of Spent Lithium-Ion Cathodes.

Journal: Angewandte Chemie (International ed. in English)

Published: March 06, 2026

Cross-plane magnetic coupling in carbon-based diradicals with one-electron σ-bond regulated by conjugative substituent engineering.

Cross-plane magnetic coupling in carbon-based diradicals with one-electron σ-bond regulated by conjugative substituent engineering.

Journal: Physical chemistry chemical physics : PCCP

Published: February 02, 2026

Harnessing the charge-transfer-to-solvent state of aqueous triiodide: A strategy to mitigate I2 trapping and enhance hydrated electron yield.

Harnessing the charge-transfer-to-solvent state of aqueous triiodide: A strategy to mitigate I2 trapping and enhance hydrated electron yield.

Journal: The Journal of chemical physics

Published: January 10, 2026

Polyene Bond Resonances Drive Intramolecular Singlet Fission in Diphenylhexatriene Dimers.

Polyene Bond Resonances Drive Intramolecular Singlet Fission in Diphenylhexatriene Dimers.

Journal: The journal of physical chemistry letters

Published: January 07, 2026

Metastable π-Lithium Supermolecule Entities Govern Voltage in Electron-Rich Electrolytes: Orbital Energetics as Predictive Voltage Descriptors.

Metastable π-Lithium Supermolecule Entities Govern Voltage in Electron-Rich Electrolytes: Orbital Energetics as Predictive Voltage Descriptors.

Journal: Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Published: September 01, 2025

Showing 1-12 of 93

Last Updated: 09/26/2026