Papers by Author: Jie Cheng

Abstract: A first quasiclassical trajectory calculation for the reaction H + OCl OH + Cl, HCl + O has been carried out on the ground 1¹A' potential energy surface (PES) at the collision energy of 7.6 kcal/mol. The stereodynamics and product state distributions were focused on computation and analysis. It was found that, for both the OH and HCl products, the product rotational alignment and orientation were very weak. Most of the OH products are at lower vibrational levels. The HCl products dominantly populate in the ground vibrational state v'=0. Inverted rotational state distributions were found in each of the vibrational state for both the OH and HCl products. As a consequence, the title reaction takes place dominantly through an indirect mechanism involving a long-lived complex.

Abstract: A quasiclassical trajectory calculation is carried out to investigate the effect of reagent vibrational excitation on product rotational polarization in the reactions Li + DF (v=0-3, j=0) ---> LiF(v', j') + D. It is found that the reagent vibational excitation highly enhanced the product rotational alignment, however, the enhancement is not monotonically increasing with the gradual increase of the vibrational quantum number from v=0 to v=3. The product rotational orientation varies from the negative to positive direction of y axis with the increasing vibrational quantum number from v=0 to v=3.

Abstract: In this paper, the atomic magnetic moments and spin-splittings of the six-member ring N2C4 cluster with planar and folding configurations in DNA bases are studied, respectively. The results show that the surprising interplay between the molecular structure and their magnetic property. In the planar configuration, the cluster exhibits antiferromagnetism and ferromagnetism in the ground state and metastable state, respectively. In the folding configuration, it exhibits antiferromagnetism and ferrimagnetism in the ground state and metastable state, respectively.

Abstract: Pseudomonas syringae pv. mori M4-13 is a new coronatine-production strain isolated from mulberry trees. As a high efficient plant growth substance, coronatine is difficult to obtain from the traditional bacteria under the high temperature. The fermentation temperature cannot be greater than 301K. However, the coronatine production is strictly growth associated. Therefore, biomass growth and accumulation of coronatine should be studied coordinately. In this paper, the growth rate of the strain was studied by the square root model, and the temperature-changing fermentation pattern of coronatine was optimized. In the fitting function of , the value of b was 0.03276, c was 0.1759, R²= 0.99. Based on the results, the optimal growth temperature of Pseudomonas syringae pv. mori M4-13 is 305K. The accumulation of coronatine reaches the peak, when the strain was incubated at the 305K for 3 days, following with the fermentation at 291K for another 3days. This fermentation pattern lay a solid foundation for the large-scale applications in the industrial production.