50. Jingheng Deng, Jiayi Liang, Shuming Bai*  Learning Intermolecular Electronic Coupling with Molecular-Orbital-Based Descriptors. J. Phys. Chem. Lett. 2024, 15, 51, 12551–12560

 

49. Bojun Shi, Hao Jia*, Lingfang Chen, Shuchun Zhang, Yu Zhang, Baipeng Yin, Shuming Bai, Chuang Zhang* Dynamic Magnetic Control of Lanthanide Metal–Organic Framework Crystals and Their Polarized Emissions. Chemistry, 2024, 6, 1415

 

48.  Lingsong Wang, Jingheng Deng, Shuming Bai, Yunxin Wu*, Weigang Zhu* Enhanced Photocatalytic Degradation Performance by Micropore-Confined Charge Transfer in Hydrogen-Bonded Organic Framework-Like Cocrystals. Small  2024, 20, 2406352

 

47. Shuming Bai*, Shuocang Zhang, Chenghong Huang, Qiang Shi* Hierarchical Equations of Motion for Quantum Chemical Dynamics: Recent Methodology Developments and Applications. Acc. Chem. Res.2024, 57, 21, 3151–3160

 

46. Wansong Shang, Wei Meng, Lingfang Chen, Zhichun Shangguan, Yanyan Huang, Xi-ShaZhang, Cheng Li, Shuming Bai, Guanxin Zhang, Deqing Zhang* Novel Dissymmetric Formal Quinoidal Molecules End-capped byDicyanomethylene and Triphenylphosphonium. Angew. Chem. Int. Ed. 2024, e202412704

 

45. Chenghong Huang, Shuming Bai,* Qiang Shi* Simulation of the Pump–Probe Spectra and Excitation Energy Relaxation of the B850 Band of the LH2 Complex in Purple Bacteria. J. Phys. Chem. B, 2024, 128, 31, 7467–7475

 

44. Shuming Bai, Peng Zhang,* and David N. Beratan* Using Adiabatic Energy Splitting To Compute Dexter Energy Transfer Couplings J. Phys. Chem. A, 2024, 128, 28, 5721–5729; https://doi.org/10.1021/acs.jpca.3c08146

 

43. Hao Jia, Lingfang Chen, Dongchun Yang, Ye Zou, Hong Wang, Baipeng Yin,* Shuming Bai,* Chuang Zhang,* and Jiannian Yao Magnetic Switching of Second-Harmonic Generation from Single Cerium-Based Coordination Polymer Microcrystals. J. Phys. Chem. Lett. 2024, 15, 6728−6735

 

42. Dongchun Yang,* Ran Jia, Xin Wang, and Shuming Bai* Highly Ordered C-Rich Carbon Nitride Nanomaterials with Pyrrole and Imidazole Moieties for Photocatalytic Overall Water Splitting through Built-In Electric Field. Appl. Nano Mater., 2024, doi.org/10.1021/acsanm.4c01127ACS

 

41. Shaoting Liu, Yuhsuan Lee, Lingfang Chen, Jingheng Deng, Tongmei Ma,* Mario Barbatti,* and Shuming Bai*  Unexpected longer T1 lifetime of 6-sulfur guanine than 6-selenium guanine: the solvent effect of hydrogen bonds to brake the triplet decay. Phys. Chem. Chem. Phys., 2024, 26, 13965-13972