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31.
Jiatian Chen Le Yang Ying Li Qinghua Hou Lanlan Li Peng Jin 《International journal of quantum chemistry》2019,119(16):e25961
Inorganic planar ring-shape molecules with 4n + 2 π electrons are always the focus of experimental synthesis and theoretical research due to their potential aromaticity and stability. In this work, the whole series of five-membered heterocycle monoanions X nY5-n− (X, Y = group 15 elements; n = 1-4) were thoroughly investigated by means of density functional theory calculations. They all have large formation energies and HOMO-LUMO gap energies, suggesting the potential thermodynamic and kinetic stability. Their aromaticities are comparable to that of typical aromatic hydrocarbons. Their thermal stabilities were firmly established by the ab initio molecular dynamics simulations. As most of them are predicted for the first time, their various spectra were simulated for experimental characterization. Furthermore, we demonstrate that these five-membered cyclic anions can be employed as η5-ligand to construct novel all-inorganic metallocenes, which may serve as the building blocks of low-dimensional nanomaterials. 相似文献
32.
Nonlinear Dynamics - Global dynamics of a flexible asymmetrical rotor resting on vibrating supports is investigated. Hamilton’s principle is used to derive the partial differential governing... 相似文献
33.
34.
Two new homosecoiridoids, named loniaceticiridoside (1) and lonimalondialiridoside (2), were isolated from an aqueous extract of the flower buds of Lonicera japonica. Their structures including the absolute configuration were determined by extensive spectroscopic studies, especially by 2D NMR and CD data analysis. A proposed biosynthetic pathway and preliminary investigations of the biological activity of compounds 1 and 2 are also discussed. 相似文献
35.
36.
The γcmc values of CTAB-SDS decrease from 63.67 mN/m at 10‡C to 36.38 mN/m at 90‡C, slightly lower than those of either CTAB or SDS.
Correspondingly, the CMC of CTAB-SDS decreases almost by half. The increase of surface activity of CTAB-SDS can be attributed
to the relatively weak electrostatic interaction at high temperature, which is supported by the increase of solubility of
CTAB-SDS with rise in temperature. Catalytic effect on oxidation of toluene derivatives with potassium permanganate follows
the order CTAB-SDS > SDS > CTAB. This is not caused by the dissociative effect of CTAB-SDS with low surface activity at low
temperature, as seen from the fact that almost all oxidative products can be retrieved for different toluene derivatives and
surfactants by mimicking the conditions of reaction. In the emulsifications of toluene derivatives at 90‡C, the time that
turbid water layers of surfactant solutions take to become clear is the same as that of the catalytic effect on oxidation
of toluene derivatives. Thus, it can be inferred that surfactants can improve the oxidation yields of toluene derivatives
by increasing the contact between two reacting phases. 相似文献
37.
浅谈饭店"环境入世" 总被引:2,自引:2,他引:0
环境恶化,生态平衡破坏,使对可持续发展的研究愈来愈重要.通过对饭店经营观念的转变。创建绿色饭店环境成本和效益的分析,提出实现饭店可持续发展的途径. 相似文献
38.
本文讨论了由微分算式l=-d2/dt2 q(t)生成的具有某种边界条件的n个正则Schrodinger算子Li(i=1,…,n)的积Ln…L2L1自伴性问题,证明了积算子Lm…L2L1自伴的充分必要条件为=L*n 1-i(i=1,…,[n 1/2]). 相似文献
39.
王扬 《安徽工程科技学院学报:自然科学版》2003,18(2):75-78
通过对纯棉J14.6tex精梳纱生产工艺流程的合理设置和工艺参数调整,力求多唛头组织配棉生产:强化质量控制措施,达到降低产品成本提高产品质量的目的,这是提高企业经济效益和社会效益的一个有效办法。 相似文献
40.
In this paper, we study the existence of the uniformly minimum risk equivariant (UMRE) estimators of parameters in a class
of normal linear models, which include the normal variance components model, the growth curve model, the extended growth curve
model, and the seemingly unrelated regression equations model, and so on. The necessary and sufficient conditions are given
for the existence of UMRE estimators of the estimable linear functions of regression coefficients, the covariance matrixV and (trV)α, where α > 0 is known, in the models under an affine group of transformations for quadratic losses and matrix losses, respectively.
Under the (extended) growth curve model and the seemingly unrelated regression equations model, the conclusions given in literature
for estimating regression coefficients can be derived by applying the general results in this paper, and the sufficient conditions
for non-existence of UMRE estimators ofV and tr(V) are expanded to be necessary and sufficient conditions. In addition, the necessary and sufficient conditions that there
exist UMRE estimators of parameters in the variance components model are obtained for the first time. 相似文献