Deciphering solvent-driven intra- and intermolecular excited-state proton transfer mechanisms in 3BTHMB via TDDFT

作者：Jiaan Gao, Xiaotong Guan, Siqi Wang, Yifu Zhang, Hui Li, Guangyong Jin · 发表于：Computational and Theoretical Chemistry · 年份：2025 · DOI：10.1016/j.comptc.2025.115529 · 被引用次数：2 · 研究领域：Photochemistry and Electron Transfer Studies、Spectroscopy and Quantum Chemical Studies、Electron Spin Resonance Studies