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81.
Electrochemical impedance spectroscopy (EIS) was employed to study electrochemical behaviors during Li-ion insertion into
rice husk carbon. The impedance spectra consist of two depressed semicircles in the high and middle range frequency and an
incline line at low frequency. The impedance spectra, obtained in the potential range 2.0 to 0.005 V were analyzed with an
equivalent circuit model. Kinetic parameters such as the charge-transfer resistance and surface film resistance were evaluated
and discussed.
Paper presented at the International Conference on Solid State Science and Technology 2006, Kuala Terengganu, Malaysia, September
4–6, 2006. 相似文献
82.
LI ZhiFeng LUE LingLing KANG JingWan LU XiaoQuan 《科学通报(英文版)》2007,52(15):2035-2041
The insertion reaction mechanism of CBr2 with CH3CH2O has been studied by using the B3LYP/6-311G(d) and CCSD(T)/6-311G(d) at single point. The geometries of reactions,transition state and products were completely optimized. All the transition state is verified by the vibrational analysis and the internal re-action coordinate (IRC) calculations. The results show that reaction (1) is the dominant reaction path,which proceeds via two steps: i) two reactants form an intermediate (IM1),which is an exothermal re-action of 8.62 kJ·mol?1 without energy barrier; ii) P1 is obtained via the TS1 and the H-shift,in which the energy barrier is 44.53 kJ·mol?1. The statistical thermodynamics and Eyring transition state theory with Wigner correction are used to study the thermodynamic and kinetic characters of this reaction in temperature range from 100 to 2200 K. The results show that the appropriate reaction temperature ranges from 200 to 1900 K at 1.0 atm,in which the reaction has a bigger spontaneity capability,equi-librium constant (K) and higher rate constant (k). 相似文献
83.
84.
采用密度泛函理论B3LYP方法研究了配体和配位数对乙烯插入杂双核(CO)4Cr(m-PH2)2RhH(Ln) (L=CO或PH3, n=1或2)配合物中Rh—H键反应的影响. 计算结果表明, 六配位乙烯复合物中乙烯与铑之间轨道相互作用主要为乙烯到铑中心的s供体相互作用; 而五配位乙烯复合物中乙烯与铑中心间相互作用涉及乙烯到铑中心的s供体相互作用和铑到乙烯的p反馈作用. PH3配体在热力学上不利于该反应. 处于氢配体对位的膦配体能加速乙烯插入反应. 乙烯插入的五配位反应途径占优势. Cr(CO)4部分的引入降低了乙烯插入反应的活化能. 相似文献
85.
In this paper, we employ the boundary-only meshfree method to find out numerical solution of the classical Boussinesq equation in one dimension. The proposed method in the current paper is a combination of boundary knot method and meshless analog equation method. The boundary knot technique is an integration free, boundary-only, meshless method which is used to avoid the known disadvantages of the method of fundamental solution. Also, we use the meshless analog equation method to replace the nonlinear governing equation with an equivalent nonhomogeneous linear equation. A predictor-corrector scheme is proposed to solve the resulted differential equation of the collocation. The numerical results and conclusions are obtained for both the ‘good’ and the ‘bad’ Boussinesq equations. 相似文献
86.
Lithium tetrafluoroborate (10 mol%) is found to catalyze efficiently the OH insertion reactions of α-diazoketones with various alcohols including benzylic, allylic, propargylic and cyclopropyl carbinols to produce the corresponding α-alkoxy ketones in excellent yields with high selectivity. A solution of 10 mol% of LiBF4 in acetonitrile provides a convenient reaction medium to carry out the OH insertion reactions under mild and neutral conditions. 相似文献
87.
图的Hamilton-圈与连通度 总被引:1,自引:0,他引:1
利用插点方法和H-序列,给出l-连通图G是Hamilton-圈的一个新充分条件。 相似文献
88.
89.
IntroductionSynaptotagmin is a family of vesicletransmembrane proteins present in synapticvesicles and large secretary granules of neuronsand endocrine cells[1 ] .It is a major constituent ofsynaptic vesicle membranes,comprising7% 8%of the total vesicle protein,characterized by ashort intravesiclar N-terminus,a singletransmembrane region,and a long plasmicdomain. The best-charaterized form of synaptotagmin,syt ,is found abundantly in rostrol brain.Syt was first described in 1 981 [2 ] ,and i… 相似文献
90.
Prof. Dr. Daniel Solé Francesco Mariani Prof. Dr. M.‐Lluïsa Bennasar Dr. Israel Fernández 《Angewandte Chemie (International ed. in English)》2016,55(22):6467-6470
A palladium‐catalyzed carbene insertion into C(sp3)?H bonds leading to pyrrolidines was developed. The coupling reaction can be catalyzed by both Pd0 and PdII, is regioselective, and shows a broad functional group tolerance. This reaction is the first example of palladium‐catalyzed C(sp3)?C(sp3) bond assembly starting from diazocarbonyl compounds. DFT calculations revealed that this direct C(sp3)?H bond functionalization reaction involves an unprecedented concerted metalation–deprotonation step. 相似文献