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91.
火花激发原子发射光谱法应用于直径小于8mm的不锈钢线材的分析,对此类试样应用了一种特制的夹具,用块状标准样品制作工作曲线。由于线状试样和块状标准样品之间的形状差异所产生的系统不确定度借采用同类型标样作校正,对共存元素的相互干扰也采用了相应的校正方法。其它分析条件,包括严格的制样工序,氩气的纯度要求及其流量控制,以及光源的最佳条件等,作了深入的试验。按所提出的方法测定了不锈钢线材试样中碳、硅、锰、磷、硫、铬、镍及钛等8个元素。经校正后的结果与化学法测得结果相符。 相似文献
92.
93.
Summary On the basis of the completely-optimized S0 and S2 molecular geometries of pyrene the vibrational structure of the electronic S2S0 transition was calculated within both the Condon approach and the first-order Herzberg-Teller approach. The theoretical results demonstrate the significant influence of vibronic coupling. An analysis of the active vibrational modes is given. The theory-experiment comparison within the Herzberg-Teller approach is satisfactory. 相似文献
94.
Kenji Okada 《Journal of Molecular Structure》1996,380(3):223-233
The crystal and molecular structures of 2,2-bis(4-hydroxyphenyl)propane (Bisphenol A, BPA) (1), benzyl 4-hydroxybenzoate (2), 1,7-bis(4-hydroxyphenylthio)-3,5-dioxaheptane (3) and 4-hydroxyphenyl 4-isopropoxyphenyl sulfone (4) have been determined by X-ray crystal structure analysis. Theoretical calculations of the steric hindrance and semiempirical quantum chemical calculations to determine the color characteristics have been carried out. It is clear that the energy barriers for the variation of the orientation of phenol group in 1 to 4 are due to steric hindrance caused by the other moiety and the peak profiles are due to repulsive interactions of the other moiety. Net atomic charges on the hydrogen of the OH group are larger than those on the other atoms in the molecules. This high electron charge of the para orientation will cause the different thermosensitivity and stabilization. 相似文献
95.
M. L. Balinski 《Mathematical Programming》1986,34(2):125-141
Where there is abundance of mystery and confusion in every direction, the truth seldom remains hidden for long. It's a matter of having plenty of angles to go at it from. Only the utterly simple crimes - the simplex crimes, you may say - have the trick of remaining baffling. - Sir John (from Michael Innes,The Open House (A Sir John Appleby Mystery), Penguin Books, 1974).A dual simplex method for the assignment problem leaves open to choice the activity (i,j) of rowi and columnj that is to be dropped in pivoting so long asx
ij
< 0. A choice (i,j) over columnsj having at least 3 basic activities that minimizesx
ij
is shown to converge in at most (
2
n-1
) pivots, and at most O(n
3) time, and it is argued that on average the number of pivots is at mostn logn.
Dedicated with affection to George B. Dantzig on the occasion of his seventieth birthday. 相似文献
96.
聚类分析法在食品TE分级中应用研究 总被引:1,自引:0,他引:1
用15种食品的Zn、Cu、Fe、Mg含量作分级特征,按聚类分析分级,结果以Zn、Cu、Fe、Mg总量均值最低的蕃茄为Ⅰ级;低的白鸡、鲜牛奶、黄瓜、新会柑、罗岗橙为Ⅱ级;高的精面粉、水豆腐、粉丝、牛肉、鸡蛋、鸭蛋、西洋菜、白芽为Ⅲ级;最高的红豆为Ⅳ级.提示膳食中Zn、Cu、Fe、Mg含量大于供给量标准时可选Ⅲ、Ⅳ级,小于标准选Ⅰ、Ⅱ级,=标准选Ⅰ、Ⅲ级食品.据此认为聚类分析法可用于食品分级,对选择食品、制订食谱、营养治疗、食品科研、研制食品配方等均具有实用价值和指导意义。 相似文献
97.
98.
理论研究了离子型配合物[OsN(mnt)2]-[mnt=S2C2(CN)2)]的电子结构和光谱性质, 考察不同配体三价N、二硫氰烯S2C2(CN)2和金属Os的相互作用对光化学性质的影响. 分别在B3LYP/LANL2DZ和CIS/LANL2DZ水平上优化了配合物的基态和激发态结构. 与基态(1A1)相比, 激发态(3A2)的Os≡N 的键长缩短了0.0066 nm, 这与计算得到的频率增大一致, 使用TD-DFT方法计算得到了配合物的吸收和发射光谱. 计算得到的位于300 nm(f=0.1497)和262 nm(f=0.2890)的强吸收都来自1A1→1B1跃迁, 分别指认为SC→Os≡N+CN 和N+SC→Os≡N+CN的电子跃迁. 最低能量的吸收位于446 nm(f=0.0206) 处, 来自1A1→1B2的电子跃迁, 指认为N→Os和 N+SC→CN. 计算得到配合物在气态的磷光发射位于678 nm(A3A2→X1A1)处, 而在丙酮溶液中则蓝移到了625 nm处, 跃迁属性不变, 都是N→Os和S→Os的跃迁. 相似文献
99.
Thin layers of cellulose I nanocrystals were spin-coated onto silicon wafers to give a flat model cellulose surface. A mild heat treatment was required to stabilize the cellulose layer. Interactions of this surface with polyelectrolyte layers and multilayers were probed by atomic force microscopy in water and dilute salt solutions. Deflection–distance curves for standard silicon nitride tips were measured for silicon, cellulose-coated silicon, and for polyelectrolytes adsorbed on the cellulose surface. Transfer of polymer to the tip was checked by running deflection–distance curves against clean silicon. Deflection–distance curves were relatively insensitive to adsorbed polyelectrolyte, but salt addition caused transfer of cationic polyelectrolyte to the tip, and swelling of the polyelectrolyte multilayers. 相似文献
100.
Three new hetero‐bischelated rhodium (III) complexes of cis‐[Rh(PA)(L)Cl2]Cl (where PA = phenylpyridin‐2‐ylmethylene‐amine; L = 2,2′‐bipyridine, 2,2′‐dipyridylamine and 1,10‐phenanthroline) have been successfully prepared and characterized. Each complex shows high intensity bands in the UV region, and these are assigned to spin‐allowed π‐π* transitions. The medium‐intensity absorption band profile in the lower energy region can be explained by convolution of spin‐allowed CT and d‐d* transitions. The emission spectra at low temperature (77 K) of these complexes in EtOH/MeOH (4:1 v/v) are virtually identical. They all exhibit a broad, symmetric, and structureless red emission with a microsecond lifetime and hence are assigned as the d‐d* phosphorescence. 相似文献