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排序方式: 共有1191条查询结果,搜索用时 15 毫秒
1.
Dr. Zaifa Shi Dr. Yihuang Jiang Dr. Jingxiong Yu Prof. Shanjun Chen Prof. Jun Chen Prof. Zichao Tang Prof. Lansun Zheng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(8):e202103546
At present, the reactivity of cyclic alkanes is estimated by comparison with acyclic hydrocarbons. Due to the difference in the structure of cycloalkanes and acycloalkanes, the thermodynamic data obtained by analogy are not applicable. In this study, a molecular beam sampling vacuum ultraviolet photoionization time-of-flight mass spectrometer (MB-VUV-PI-TOFMS) was applied to study the low-temperature oxidation of cyclopentane (CPT) at a total pressure range from 1–3 atm and low-temperature range between 500 and 800 K. Low-temperature reaction products including cyclic olefins, cyclic ethers, and highly oxygenated intermediates (e. g., ketohydroperoxide KHP, keto-dihydroperoxide KDHP, olefinic hydroperoxides OHP and ketone structure products) were observed. Further investigation of the oxidation of CPT – electronic structure calculations – were carried out at the UCCSD(T)-F12a/aug-cc-pVDZ//B3LYP/6-31+ G(d,p) level to explore the reactivity of O2 molecules adding sequentially to cyclopentyl radicals. Experimental and theoretical observations showed that the dominant product channel in the reaction of CPT radicals with O2 is HO2 elimination yielding cyclopentene. The pathways of second and third O2 addition – the dissociation of hydroperoxide – were further confirmed. The results of this study will develop the low-temperature oxidation mechanism of CPT, which can be used for future research on accurately simulating the combustion process of CPT. 相似文献
2.
We consider the problem of maximizing a linear fractional function on the Pareto efficient frontier of two other linear fractional functions. We present a finite pivoting-type algorithm that solves the maximization problem while computing simultaneously the efficient frontier. Application to multistage efficiency analysis is discussed. An example demonstrating the computational procedure is included. 相似文献
3.
K. Batra V. Prasad M. Mohan 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(2):191-198
The scattering of heavy ion with a multilevel Rydberg atom in the presence of an electromagnetic field is studied. The interaction
of Rydberg atom and the e.m field is explored using non-perturbative quasi-energy technique. Although the results are presented
for selected excitations but in actual calculations we have included many levels of the atom. The effect of various parameters
are shown on collisional excitation process. As an illustration detailed calculations are performed for the inelastic proton-Na
Rydberg atom collision accompanied by the transfer of photons and the effects of dressing due to the field are considered.
The emphasis of the present work is on collision induced transitions especially the case that involves change of orbital as
well as principal quantum number.
Received 26 December 2001 / Received in final form 8 April 2002 Published online 19 July 2002 相似文献
4.
非光滑非凸多目标规划解的充分条件 总被引:4,自引:0,他引:4
Kuhn-Tucker型条件的充分性一直是最优化理论中引人注意的一个问题.本文对非光滑函数提出了几个非凸概念,然后,讨论了非光滑非凸多目标规划中Kuhn-Tucker型条件和Fritz John型条件的充分性,在很弱的条件下,建立了一系列充分条件. 相似文献
5.
Lihong Wang 《Annals of the Institute of Statistical Mathematics》2004,56(2):251-264
The purpose of this paper is to investigate the asymptotic properties of the least squares estimates (L
2-estimates) and the least absolute deviation estimates (L
1-estimates) of the parameters of a nonlinear regression model subject to a set of equality and inequality restrictions, which
has a long-range dependent stationary process as its stochastic errors. Then we will compare the asymptotic relative efficiencies
of the above estimators. 相似文献
6.
报道了用高电荷态离子129Xe30+(150keV) 轰击金属Ni表面,激发的200—1000nm NiⅠ和NiⅡ的特征光谱线的实验结果.实验结果表明:用电荷态足够高的离子作光谱 激发源,无需很强的束流强度(nA量级),便可有效地产生原子和离子的复杂组态间跃迁所 形成的可见光波段的特征谱线,特别是NiⅠ和NiⅡ偶极禁戒的电四极跃迁E2和磁偶极跃迁M1 的特征光谱线.通过分析发现,在禁戒跃迁的谱线中,有些是电子组态相同而原子态不同的 偶极禁戒跃迁光谱线而且NiⅡ的684.84nm谱线较强.
关键词:
光谱
禁戒跃迁
电子组态
高电荷态离子 相似文献
7.
1.IntroductionTheoptimalityconditionsofmathematicalprogrammingisaveryimportantsubjectbecausetLeyprovideausefulanalyticaltoolforstudingthedualitytheoryandnonlinearprogrammingalgoirthms.Inrecelltyears,someauthorshavebeguntostudytheoptimalityconditionsforvectoroptimizationproblemofset-valuedmapping,suchas[4][51.Inthispaperlwedefinetheconceptofcone--weaklyefficientsubdifferentialofset-valuedmappinginthecaseofgeneralpartiallyorderedlocallyconvextopologicalvectorspaces.Thecone-weaklysubdifferential… 相似文献
8.
In this paper, nonconvex multiobjective optimization problems are studied. New characterizations of a properly efficient solution in the sense of Geoffrion's are established in terms of the stability of one scalar optimization problem and the existence of an exact penalty function of a scalar constrained program, respectively. One of the characterizations is applied to derive necessary conditions for a properly efficient control-parameter pair of a nonconvex multiobjective discrete optimal control problem with linear constraints. 相似文献
9.
本文给出多目标规划有效解适应鞍点准则的一个新的判别法 ,它不使用凸性的几何术语及凸分析中的概念。最后给出单目标规划的一个相应的判别法 相似文献
10.
P. Schlagheck A. Buchleitner 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,22(3):401-415
We provide a detailed quantum treatment of the spectral characteristics and of the dynamics of nondispersive two-electron
wave packets along the periodically driven, collinear frozen planet configuration of helium. These highly correlated, long-lived
wave packets arise as a quantum manifestation of regular islands in a mixed classical phase space, which are induced by nonlinear
resonances between the external driving and the unperturbed dynamics of the frozen-planet configuration. Particular emphasis
is given to the dependence of the ionization rates of the wave packet states on the driving field parameters and on the quantum
mechanical phase space resolution, preceded by a comparison of 1D and 3D life times of the unperturbed frozen planet. Furthermore,
we study the effect of a superimposed static electric field component, which, on the grounds of classical considerations,
is expected to stabilize the real 3D dynamics against large (and possibly ionizing) deviations from collinearity.
Received 7 November 2002 / Received in final form 2 December 2002 Published online 28 January 2003 相似文献