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| 1 | A comparison of transition state of phenol in H-atom abstraction by methyl and methylperoxyl radicals显示文摘DFT method was employed to locate transition state for H-atom transfer from phenol by methyl radical and methylperoxyl radical. The reaction pathway energy profiles and the structure of transition state show that a common feature is the out-of-plane structure of the transition state: in contrast to the en- ergetic minima of a hydrogen-bonded intermediate, the hydrogen bond in transition structures is con- siderably twisted out of the aromatic ring. From the values of enthalpy (△H) and activation energy (Ea) obtained, it is found that the rate of the reaction of peroxyl radical with phenolic antioxidant is higher than that of alkyl radical with antioxidant. Spin density distributions show that the electron transmis- sion is between methyl (methylperoxyl) radical and phenol. | SUN YouMin WU JunSen LIU ChengBu | 2007 | Chinese Science Bulletin2007，52，9： | 2 |
| 2 | Hydroxyl radical reactions with 2-chlorophenol as a model for oxidation in supercritical water显示文摘 | Jiaming Zhang Chunyuan Ma Youmin Sun Xiaohua Ren | 2014 | Research on Chemical Intermediates2014，，3： | 2 |
| 3 | Evaluation of the effectiveness of AM1 geometry used in calculating O-H bond dissociation enthalpy显示文摘 | Youmin Sun Dezhan Chen Chengbu Liu | 2002 | J Molecular Structure-TheoChem2002，，618： | 1 |
| 4 | Hydroxyl radical reactions with 2-chlorophenol as a model for oxidation in supercritical water显示文摘 | Jiaming Zhang Chunyuan Ma Youmin Sun Xiaohua Ren | 2014 | Research on Chemical Intermediates2014，，3： | 1 |
| 5 | Why B - ring is the active center for genistein to scavenge peroxylradical: a DFT study显示文摘 | Zhang Hongyu Wang Lanfen Sun Youmin | 2003 | Bioorganic & Medicinal Chemistry Letters2003，，13： | 1 |
| 6 | Theoretical elucidation on the antioxidant mechanism of curcumin:a DFT study显示文摘 | Sun Youmin Zhang Hongyu Chen Dezhan | 2002 | Organig Letters2002，4，17： | 1 |
| 7 | Theoretical elucidation on the antioxidant mechanism of curcurnin: a DFT study显示文摘 | SUN Youmin ZHANG Hongyu CHEN Dezhan | 2002 | Organic Letters2002，4，17： | 1 |
| 8 | Luminescent and thermal properties of a new green emitting Ca 6 Sr 4 (Si 2 O 7 ) 3 Cl 2 :Eu 2+ phosphor for near-UV light-emitting diodes显示文摘 | Jianfeng Sun Youmin Shi Wenlin Zhang Dezhong Shen Jiayue Sun | 2011 | Materials Research Bulletin2011，，2： | 1 |
| 9 | Theoretical elucidation on the antioxidant mechanism of curcumin显示文摘 | SUN Youmin ZHANG Hongyu CHEN Dezhan | 2002 | Organic Letters2002，4，17： | 1 |
| 10 | Hydroxyl radical reactions with 2-chlorophenolas a model for oxidation in supercrit- ical water 显示文摘 | Zhang Jiaming Ma Chunyuan Sun Youmin | 2014 | Research on Chemical Intermediates2014，40，10： | 1 |
| 11 | Theoretical study on magneto-structural correlation of trinuclear copper (II) complex with the hydroxo bridge and bidentate syn-syn carboxylate group显示文摘The theoretical study on magneto- structural correlation in linear trinuclear Cu (II) com- plex bridged by hydroxo group and bidentate formato group has been performed using the broken symme- try approach with the framework of density functional theory (DFT-BS). The magnetic coupling constant for the model complex is 70.97 cm?1, comparable with the experimentally measured J value (77 cm?1). The calculated results show that the magnetic coupling interaction firstly slightly increases with the changes of the coordination environment around the terminal Cu atoms from a distorted square pyramid to a trigonal bi-pyramid, and decreases subsequently. In the course of changes, the sign of J value shifts from positive to negative. The magnetic coupling interac- tion is sensitive to coordination environment of the terminal Cu. The calculated results also reveal that the ferromagnetic coupling arises from the counter- complementarity of the hydroxo and formato bridges. Molecular orbital analysis validates the conclusion. | QI Zhongnan WU Jian LIU Chengbu WANG Ruoxi SUN Youmin | 2006 | Chinese Science Bulletin2006，51，12： | 0 |
| 12 | Freshness constraints of an age of information based event-triggered Kalman consensus filter algorithm over a wireless sensor network显示文摘This paper presents the design of a new event-triggered Kalman consensus filter(ET-KCF)algorithm for use over a wireless sensor network(WSN).This algorithm is based on information freshness,which is calculated as the age of information(Aol)of the sampled data.The proposed algorithm integrates the traditional event-triggered mechanism,information freshness calculation method,and Kalman consensus filter(KCF)algorithm to estimate the concentrations of pollutants in the aircraft more efficiently.The proposed method also considers the influence of data packet loss and the aircraft's loss of communication path over the WSN,and presents an Aol-freshness-based threshold selection method for the ET-KCF algorithm,which compares the packet Aol to the minimum average Aol of the system.This method can obviously reduce the energy consumption because the transmission of expired information is reduced.Finally,the convergence of the algorithm is proved using the Lyapunov stability theory and matrix theory.Simulation results show that this algorithm has better fault tolerance compared to the existing KCF and lower power consumption than other ET-KCFs. | Rui WANG Yahui LI Hui SUN Youmin ZHANG | 2021 | Frontiers of Information Technology & Electronic Engineering2021，22，1： | 0 |
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