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111.
Traveling wave solutions for two nonlinear evolution equations with nonlinear terms of any order 下载免费PDF全文
In this paper, based on the known first integral method and the Riccati sub-ordinary differential equation (ODE) method, we try to seek the exact solutions of the general Gardner equation and the general Benjamin-Bona-Mahoney equation. As a result, some traveling wave solutions for the two nonlinear equations are established successfully. Also we make a comparison between the two methods. It turns out that the Riccati sub-ODE method is more effective than the first integral method in handling the proposed problems, and more general solutions are constructed by the Riccati sub-ODE method. 相似文献
112.
给出了优化小分子在团簇表面吸附结构的遗传算法.结合经验势函数,搜寻了水分子在(TiO2)n(n=3—6)团簇上可能的吸附方式;利用B3LYP/6-31G**方法对各种吸附结构进行了优化.结果表明水分子主要通过O原子以非解离方式吸附到团簇中配位数较低或位置比较凸出的Ti原子上.分子轨道分析表明,水分子与团簇之间的成键主要来自吸附位Ti原子3s3p轨道的贡献,水分子的轨道保持了气相水分子中的基本特征,但离域化程度增大
关键词:
2团簇')" href="#">TiO2团簇
2O吸附')" href="#">H2O吸附
遗传算法
DFT 相似文献
113.
Meng Liu Dr. Hao Fan Dr. Ou Zhuo Xiao Du Longqi Yang Prof. Peng Wang Lijun Yang Prof. Qiang Wu Prof. Xizhang Wang Prof. Zheng Hu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(15):3843-3848
Molybdenum disulfide (MoS2) is an intensively studied anode material for lithium-ion batteries (LIBs) owing to its high theoretical capacity, but it is still confronted by severe challenges of unsatisfactory rate capability and cycle life. Herein, few-layer MoS2 nanosheets, vertically grown on hierarchical carbon nanocages (hCNC) by a facile hydrothermal method, introduce pseudocapacitive lithium storage owing to the highly exposed MoS2 basal planes, enhanced conductivity, and facilitated electrolyte access arising from good hybridization with hCNC. Thus, the optimized MoS2/hCNC exhibits reversible capacities of 1670 mAh g−1 at 0.1 A g−1 after 50 cycles, 621 mAh g−1 at 5.0 A g−1 after 500 cycles, and 196 mAh g−1 at 50 A g−1 after 2500 cycles, which are among the best for MoS2-based anode materials. The specific power and specific energy, which can reach 16.1 kW and 252.8 Wh after 3000 cycles, respectively, indicate great potential in high-power and long-life LIBs. These findings suggest a promising strategy for exploring advanced anode materials with high reversible capacity, high-rate capability, and long-term recyclability. 相似文献
114.
Acta Mathematicae Applicatae Sinica, English Series - In this paper, we investigate standing waves in discrete nonlinear Schrödinger equations with nonperiodic bounded potentials. By using the... 相似文献
115.
116.
Lan-Hua Wei Yong-Bing He Jin-Long Wu Xiao-Jun Wu Ling-Zhi Meng Xi Yang 《Supramolecular chemistry》2013,25(8):561-567
Two colorimetric thiourea-based chemsensors with two relatively rigid arms, 2A and 2B, were synthesized. Their binding abilities with halide anions, AcO?, [Formula: See Text] were studied by UV-Vis spectroscopy in DMSO. The two sensors showed a notable selective color response to F? anion from colorless to green-yellow in recognition. The structures of the two sensors and their binding behaviors are discussed. The association constants were calculated by nonlinear fittings of 1:1, 1:2 or 1:1 to 1:2. 相似文献
117.
A series of novel axially chiral 2,2′‐bipyridine N,N′‐dioxides bearing C1 or C2‐symmetry have been synthesized by the use of enantiopure α‐amino acids as chiral sources. The absolute stereochemistry of the axial chirality of these organocatalysts has been clearly assigned by means of CD measurements together with literature protocols. The reactivities and enantioselectivities of these organocatalysts have been examined in the reactions of aromatic aldehydes with allyltrichlorosilane, thus providing the desired products with moderate yields and enantioselectivies. 相似文献
118.
The Knoevenagel condensation of Meldrum's acid with aromatic aldehydes proceeded efficiently in a reusable ionic liquid, ethylammonium nitrate, at room temperature in the absence of any catalyst with high yields. 相似文献
119.
The reaction of diaryliodonium salts with β-substituted-α,β-enones in the presence of a palladium catalyst affords Hβ-substituted products with excellent yields. 相似文献
120.
Qian-Li Zhang Ai-Jun Wang Zi-Yan Meng Ya-Hui Lu Hong-Jun Lin Jiu-Ju Feng 《Mikrochimica acta》2013,180(7-8):581-587
We have prepared porous and network-like nanofilms of gold by galvanic replacement of a layer of copper particles acting as a template. The films were first characterized by scanning electron microscopy and X-ray diffraction, and then modified with cysteamine so to enable the covalent immobilization of the enzyme microperoxidase-11. The immobilized enzyme undergoes direct electron transfer to the underlying electrodes, and the electrode displays high electrocatalytic activity towards the reduction of oxygen and hydrogen peroxide, respectively, owing to the largely enhanced electroactive surface of the porous gold film. The detection limit of H2O2 is 0.4 μM (3 S/N). Figure
In this work, porous network-like Au films were prepared by galvanic replacement using Cu film as a sacrificial template. The cysteamine modified Au film was used to immobilize microperoxidase-11, which showed good stability and excellent electrochemical performance towards the reduction of O2 and H2O2, respectively 相似文献