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91.
Spherical confinement of coulombic systems inside an impenetrable box: H atom and the Hulthén potential 下载免费PDF全文
Amlan K. Roy 《International journal of quantum chemistry》2015,115(15):937-947
The generalized pseudospectral method is used to study spherical confinement in two simple Coulombic systems: (i) well celebrated and heavily studied H atom (ii) relatively less explored Hulthén potential. In both instances, arbitrary cavity size as well as low and higher states are considered. Apart from bound state eigenvalues, eigenfunctions, expectation values, quite accurate estimates of the critical cage radius for H atom for all the 55 states corresponding to , are also examined. Some of the latter are better than previously reported values. Degeneracy and energy ordering under the isotropic confinement situation are discussed as well. The method produces consistently high‐quality results for both potentials for small as well as large cavity size. For the H atom, present results are comparable to best theoretical values, while for the latter, this work gives considerably better estimates than all existing work so far. © 2014 Wiley Periodicals, Inc. 相似文献
92.
Synthesis of Mesoporous Wall‐Structured TiO2 on Reduced Graphene Oxide Nanosheets with High Rate Performance for Lithium‐Ion Batteries 下载免费PDF全文
Mengmeng Zhen Meiqing Sun Prof. Guandao Gao Prof. Lu Liu Prof. Zhen Zhou 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(14):5317-5322
Mesoporous wall‐structured TiO2 on reduced graphene oxide (RGO) nanosheets were successfully fabricated through a simple hydrothermal process without any surfactants and annealed at 400 °C for 2 h under argon. The obtained mesoporous structured TiO2–RGO composites had a high surface area (99 0307 m2 g?1) and exhibited excellent electrochemical cycling (a reversible capacity of 260 mAh g?1 at 1.2 C and 180 mAh g?1 at 5 C after 400 cycles), demonstrating it to be a promising method for the development of high‐performance Li‐ion batteries. 相似文献
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A recently described plant cell wall dissolution system has been modified to use perdeuterated solvents to allow direct in-NMR-tube dissolution and high-resolution solution-state NMR of the whole cell wall without derivatization. Finely ground cell wall material dissolves in a solvent system containing dimethylsulfoxide-d(6) and 1-methylimidazole-d(6) in a ratio of 4:1 (v/v), keeping wood component structures mainly intact in their near-native state. Two-dimensional NMR experiments, using gradient-HSQC (heteronuclear single quantum coherence) 1-bond (13)C--(1)H correlation spectroscopy, on nonderivatized cell wall material from a representative gymnosperm pinus taeda (loblolly pine), an angiosperm Populus tremuloides (quaking aspen), and a herbaceous plant Hibiscus cannabinus (kenaf) demonstrate the efficacy of the system. We describe a method to synthesize 1-methylimidazole-d(6) with a high degree of perdeuteration, thus allowing cell wall dissolution and NMR characterization of nonderivatized plant cell wall structures. 相似文献
96.
Dr. Vibe B. Jakobsen Dr. Elzbieta Trzop Dr. Laurence C. Gavin Emiel Dobbelaar Dr. Shalinee Chikara Dr. Xiaxin Ding Dr. Kane Esien Dr. Helge Müller-Bunz Dr. Solveig Felton Dr. Vivien S. Zapf Prof. Eric Collet Prof. Michael A. Carpenter Prof. Grace G. Morgan 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(32):13407-13414
Domain wall motion is detected for the first time during the transition to a ferroelastic and spin state ordered phase of a spin crossover complex. Single-crystal X-ray diffraction and resonant ultrasound spectroscopy (RUS) revealed two distinct symmetry-breaking phase transitions in the mononuclear Mn3+ compound [Mn(3,5-diBr-sal2(323))]BPh4, 1. The first at 250 K, involves the space group change Cc→Pc and is thermodynamically continuous, while the second, Pc→P1 at 85 K, is discontinuous and related to spin crossover and spin state ordering. Stress-induced domain wall mobility was interpreted on the basis of a steep increase in acoustic loss immediately below the the Pc-P1 transition 相似文献
97.
Momentum transfer was investigated in an unbaffled agitated vessel of inner diameter 0.3 m equipped with different off-centred
impellers. The distribution of the shear rate on the tank wall as a function of the impeller type and Reynolds number was
studied in the turbulent regime of the Newtonian liquid flow. The dependences of the averaged dimensionless shear rate, friction
coefficient, and dissipated energy on the Reynolds number and eccentricity ratio were approximated using four-parameter equations.
Presented at the 33rd International Conference of the Slovak Society of Chemical Engineering, Tatranské Matliare, 22–26 May
2006. 相似文献
98.
Inulae Flos, the flower of Inula britannica L., is used as a dietary supplement, beverage, and medicine in East Asia. In this study, we evaluated the gastroprotective effects of Inulae Flos extract (IFE) against gastric mucosal lesions induced by hydrochloric acid (HCl)/ethanol in rats and explored its potential mechanisms by measuring antioxidant enzyme activity, mucus secretion, and prostaglandin E2 (PGE2) levels. Pretreatment with IFE at doses of 100 and 300 mg/kg significantly inhibited gastric lesions in HCl/ethanol-treated rats. IFE increased the activities of superoxide dismutase and catalase and the levels of glutathione and PGE2 in gastric tissues. The administration of IFE also significantly increased the gastric wall mucus contents in HCl/ethanol-induced gastric lesions. These findings suggest that IFE has gastroprotective effects against HCl/ethanol-induced gastric lesions and exerts these effects through increased antioxidant levels and gastric mucus secretion. Inulae Flos may be a promising agent for the prevention and treatment of gastritis and gastric ulcers. 相似文献
99.
为研究秦巴山区钮子根茎、叶中微量元素的含量,采用微波消解的方法处理样品,用火焰原子吸收分光光度法分别测定了其K、Na、Mg、Fe、Cu、Mn、Zn、Co、Ni、Pd 10种金属元素的含量,确立了样品消解试剂、微波消解条件,并对样品进行了精密度和回收率试验。结果表明,相对标准偏差在0.772 8%~6.813 7%之间,回收率在94.0%~109.9%之间,钮子根茎、叶中均含有丰富的K、Na、Mg、Fe、Cu、Mn、Zn等金属元素,Co、Ni等有益微量元素的含量次之,Pd的含量最低。 相似文献
100.