Publications: 1996-2005

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26. Mingfeng Yang, Ming Lei, Shuanghong Huo (2005) “Initial conformational changes of humantransthyretin under partially denaturing conditions.” Biophysical Journal 89: 433-443 link
25. Ming Lei, Mingfeng Yang, Shuanghong Huo, (2004) “Intrinsic versus mutation dependent instability/flexibility: A comparative analysis of the structure and dynamics of wild-type transthyretin and its pathogenic variants.” Journal of Structure Biology 148(2): 153-168 link
24. Hao Maorong, Feng Wenlin, Ji Yongqiang, Lei Ming (2004). “ IRC Analysis on the Reaction Paths for Methanol Carbonylation Catalyzed by Rh Complex.” Science in China (Series B) 47(1): 41-49.
23. Mingfeng Yang, Ming Lei, Shuanghong Huo (2003). “Why is Leu55–>Pro55 transthyretin variant the most amyloidogenic: insights from molecular dynamics simulation of transthyretin.” Protein Science(12): 1222-1231. link
22. Zhang Xinzhuang, Xu Zhengfeng., Ji Yongqiang, Feng WenLin, Lei Ming (2003). “Kinetics and ab initio studies of hydrogen abstraction reaction “HNCO+HCO -> NCO+CH2O”.” Chinese Journal of Chemical Physics 16(2): 94-98.
21. Yan Jianming, Lin Yuan, Wei Xianfu, Wang Yanqiao, Yang Lianming, Lei Ming(2002). “Evalution of charge transport for organic photoreceptor.” Information Recording Materials. 3(2):13-15
20. Li Huiyin, Feng Wenlin, Ji Yongqiang, Lei Ming (2002). “The reaction path and variational rate constant of the hydrogen abstraction reaction CH2O+O[3P] -> CHO+OH.” ACTA PHYS CHIM SIN 18(5): 446-450.
19. Ji Yongqiang, Feng Wenlin, Xu Zhengfeng, Lei Ming (2002). “MP2 and QCISD study of hydrogen transfer reaction path of the reaction HNCO with carbon-hydrogen radicals CHx (x=1 ~ 3).” ACTA CHIM SINICA 60(7): 1167-1172.
18. Ji Yongqiang, Feng Wenlin, Xu Zhengfeng, Lei Ming (2002). “Ab initio study on the mechanism of reaction HNCO+NH2.” Science in China (Series B) 45(4): 365-372.
17. Lei Ming*, Feng Wenlin, Xu Zhenfeng, Ji Yongqiang, Hao Maorong (2001). “Ab initio Study on the Mechanism of Rhodium-complex Catalyzed Carbonylation of Methanol to Acetic Acid.” Science in China (Series B) 44(5): 465-472.
16. Ji Yongqiang, Feng Wenlin, Xu Zhengfeng, Lei Ming, Hao Maorong (2001). “CH3NO2+X(X = H, OH, CH3, CH2[3B1],O[3P])-> CH2NO2+XH- Transition states structures and potential barriers DFT study of absorption hydrogen reaction.” ACTA CHIM SINICA 59(12): 2099-2104.
15. Ji Yongqiang, Feng Wenlin, Xu Zhengfeng, Lei Ming (2001). “Theoretical study of molecular interaction between [CH3ONO2]H+ and R-OH.” Journal of Beijing Univ. of Chem. Tech. 28(4): 66-69.
14. Lei Ming*, Feng Wenlin, Xu Zhenfeng (2001). “Theoretical Study on the Mechanisms of Some Elementary Reactions Catalyzed by Modified Carbonyl Cobalt.” Chemical Journal of Chinese Universities 22(3): 455-459.
13. Li Yonghong, Hong Sanguo, Feng Wenlin, Lei Ming (2000). “Mechanism for isomerization of 3-hydroxy-2-pyridine imine.” ACTA PHYS CHIM SIN, 16(11): 992-996
12. Hongxin Huang, Xianbiao Zeng, Lei Ming (2000). “Surplus function variational quantum Monte Carlo approach: Excited state processing.” The Journal of Chemical Physics 112(12): 5257-5262.
11. Lei Ming*, Feng Wenlin, Xu Zhenfeng (2000). “Ab initio Study on the key reactions of hydroformylation cycle by carbonyl cobalt.” Acta Physico-Chimica Sinica 16(6): 522-526.
10. Lei Ming*, Feng Wenlin, Xu Zhenfeng (2000). “A Theoretical Investigation on Regioselectivity of Aromatic Ketones in the addition with Olefin catalyzed by RuH2(CO)(PH3)3.” Science in China (Series B) 43(4): 412-420.
9. Lei Ming*, Feng Wenlin, Xu Zhenfeng (2000). “A theoretical study on electronic and steric effects of phosphorus ligands in homogeneous catalysts.” Journal of Beijing Univ. of Chem. Tech. 27(2): 66-69.
8. Lei Ming*, Feng Wenlin, Xu Zhenfeng (2000). “Ab initio MO Study on the Reaction Mechanism for Carbonyl Insertion Catalyzed by the Carbonyl Cobalt Complex.” Chemical Research in Chinese University 19(1): 31-35.
7. Lei Ming*, Feng Wenlin, Xu Zhenfeng (2000). “Ab initio MO study of reaction mechanism for carbonyl migration of Co complex.” Chinese Science Bulletin 45(13): 1176-1178.
6. Hongxin Huang, Qingji Xie, Zexing Cao, Zelin Li, Zen Yue, Lei Ming (1999). “A novel quantum Monte Carlo strategy: Surplus function approach.” Journal of Chemical Physics 110(8): 3703-3707.
5. Wan Yan, Feng Wenlin, Lei Ming (1998). “A theoretical calculation of the rate constant for the isomerization from 1,2-butadiene to 1,3-butadiene.” Science in China (Series B) 14(1): 60-64.
4. Lei Ming*, Qian Yin, Wan Yan, Feng Wenlin (1998). “Theoretical Study on the thermal Isomerization from 1,2-Butadiene to 2-Butyne.” Chemical Journal of Chinese Universities 19(4): 586-590
3. Qian Ying, Feng Wenlin, Lei Ming, Wan Yan, Liu RuoZhuang (1997). “A mechanism study on D-A reaction between 1,3-cyclohexylene to propylnitrile.” Chinese Journal of Chemical Physics 10(6): 514-518.
2. Feng Wenlin, Lei Ming, Wanyan, Qianyin (1997). “Theoretical study on the thermal isomerization from 1,2-butadiene to 1,3-butadiene.” Chinese Chemical Letters 8: 71-72.
1. Hongxin Huang, Zexing Cao, Ming Lei (1996). “Self-optimizing diffusion quantum Monte Carlo calculation: the singlet-triplet splitting in CH2.” Journal of Molecular Structure (Theochem) 370: 55-63.

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