精细化工

1. 计算生物化学与计算化学
2. 酶催化反应和生物大分子计算机模拟
3. 光生物/光化学反应机理研究
4. 人工酶的设计与作用机理研究

Four Arm Star-shaped Sbs;Coal Tar;Chemical Modification;Rheological Properties;Quaternary Ammonium Salt Of Chitosan Modification Flocculation Antibacterial Property;Thermal Stability;Polyethylene Glycol;Micromave Radiation;Nano-pd Particles;SBS

1. Xin Li, Tao Liao, and Lung Wa Chung,* J. Am. Chem. Soc. 139, 16438-16441 (2017).
2. Xin Li,* Lung Wa Chung,* and Guohui Li,* J. Chem. Theory Comput. 12, 5453-5464 (2016).
3. Xin Li,* Lung Wa Chung, Keiji Morokuma,* and Guohui Li, J. Chem. Theory Comput. 10, 3319-3330 (2014).
4. Jiayun Pang,* Xin Li, Keiji Morokuma, Nigel S. Scrutton, and Michael J. Sutcliffe,* J. Am. Chem. Soc. 134, 2367-2377 (2012).
5. Lung Wa Chung,* Xin Li, Hajime Hirao, and Keiji Morokuma,* J. Am. Chem. Soc. (Commun.) 133, 20076-20079 (2011).
6. Xin Li, Lung Wa Chung,* and Keiji Morokuma,* J. Chem. Theory Comput. (Lett.) 7, 2694-2698 (2011).
7. Lung Wa Chung,‡ Xin Li,‡ Hiroshi Sugimoto, Yoshitsugu Shiro, and Keiji Morokuma,* J. Am. Chem. Soc. 132, 11993-12005 (2010). ‡These authors contributed equally
8. Xin Li, Lung Wa Chung, Hideaki Mizuno, Atsushi Miyawaki, and Keiji Morokuma,* J. Phys. Chem. Lett. 1, 3328-3333 (2010).
9. Xin Li, Lung Wa Chung, Piotr Paneth, and Keiji Morokuma,* J. Am. Chem. Soc. 131, 5115-5125 (2009).
10. Lung Wa Chung, Xin Li, Hiroshi Sugimoto, Yoshitsugu Shiro, and Keiji Morokuma,* J. Am. Chem. Soc. 130, 12299-12309 (2008).
11. Fu-Qiang Shi, Xin Li, Yuanzhi Xia, Liming Zhang, and Zhi-Xiang Yu,* J. Am. Chem. Soc. 129, 15503-15512 (2007).

2019.01-2022.12, 国家自然科学基金面上项目21873043：“多层QM/MM自由能模拟生物酶与仿生催化环化和环加成反应机理”
2018.04-2020.03, 深圳市基础研究（自由探索）项目JCYJ20170817104736009：“DNA金属酶仿生催化反应的理论研究”
2014.01-2017.12, 国家自然科学基金面上项目21373203：“光受体蛋白的光物理和光化学特性的理论研究”