过渡元素

Aggregately, we computed 24 reaction pathways, and found out 26 intermediates and 36 transition states in this section.

我们主要研究了Hg和Sn这两种元素在燃烧过程的微观反应特性，研究了17个反应体系，计算了24条反应通道，找到了26个反应中间体和36个反应过渡态。

The effect of coating ingradient on arc stability and slag detachability for basic electrode is discussed; and the status of current research on effect of coating ingradient on welding technology for basic electrode abroad is reveiwed.

利用光谱分析和扫描电镜对高硬度钢质堆焊层金属进行分析，采用修正后的焊条药皮重量系数计算公式计算出Nb、Ti、V的过渡系数，讨论了上述元素在碱性焊条中过渡系数的影响因素，初步得出Nb、Ti、V的过渡规律。

Slag detachability of new slag system basic electrode ;2. Weld fume quantity and emission rate of new slag system basic electrode ;3. It was discussed about the influence of the mentioned elements on the transition coefficient of basic electrode .

利用光谱分析和扫描电镜对高硬度钢质堆焊层金属进行分析，采用修正后的焊条药皮重量系数计算公式计算出Nb、Ti、V的过渡系数，讨论了上述元素在碱性焊条中过渡系数的影响因素，初步得出Nb、Ti、V的过渡规律。

All the compounds are characterized by IR and elemental analysis.we design and prepare a bipyridinium supramolecular compound and six coordination compounds, which are also characterized by IR, elemental analysis and X-ray structure analysis. According to X-ray structure analysis, hydrogen bonds and n-n stocking interactions participate in the architecture of three-dimensional framework [H2L1 (NO3)2 (H2O)2]n; one-dimensional zigzag coordination polymer [Hgl21.5CH3OH]n; binuclear metallamacrocycle (HgI2L2)2 3H2O; helical double-stranded one-dimensional coordination polymer [Co2(L2)2-2CH3OH]n; double-stranded one-dimensional coordination polymer [Co2(L3)2-CH3OH-CH3CN]n; and three-dimensional compound [Cu(C5H4NCOO)2(H2O)2]-H2O with hydrogen bonds, three-dimensional coordination polymer {[Cd(C5H6NCOO)2H2O]-DMF}n, which are indirectly obtained from the precursor ligand L3 through metal ion induced the hydrolysis of diamide and self-assembled with the hydrolyzate.

我们首次合成了一个双吡啶鎓超分子化合物和六个过渡金属配合物，并通过IR谱，元素分析和X-ray晶体衍射分析对它们进行了表征。X-ray晶体结构分析表明：超分子化合物[H_2L1·(NO_3)_2·(H_2O)_2]_n是由多种氢键和芳香环间的π-π堆积作用构建的三维无限结构；[HgI_2(L1)·1.5CH_3OH]_n是一维锯齿状配位聚合物；(HgI_2L2)_2·3H_2O是双核金属大环化合物；[Co_2(L2)_2·2CH_3OH]_n是具有一维双螺旋结构的配位聚合物；[Co_2(L3)_2·CH_3OH·CH_3CN]_n为一维双链结构的配位聚合物；以及由非直线形配体L3在金属离子Cu和Cd的诱导作用下发生水解，并且金属离子与水解产物——异烟酸根离子自组装，形成了三维氢键超分子化合物[Cu(C_5H_4NCOO)_2(H_2O)_2]·H_2O和三维配位聚合物{[Cd(C_5H_6NCOO)_2H_2O]·DMF}_n。

The former is to prepare polymolybdates coordinated' directly by organic ligands using Na2MoO4 and MoO3 precursors; The latter plays emphasis on exploiting a simple and effective routine to synthesize Keggin polytungstates in which the transition metal or Si acts as the heteratom by reaction precursor Na2WO4.We have synthesized a 4,4'-bipyridine bridging dumbbell-like polymolybdates a metatungs...

前者主要是制备有机配体键合的多金属钼酸盐；后者重点是探索出一个简易、有效的合成过渡金属或主族元素硅作杂原子的Keggin多金属钨酸盐的方法，然后通过变换过渡金属或有机配体的种类探讨对产物结构的影响，再对所得化合物的结构和组成通过物理测试手段进行表征，同时研究其在光、电、磁等方面的性质。

When doping the first periodic transition elements in TiO〓, the relationships between the photocatalytic activities and the ratio of electronic affinity energy to the ionic radius and the ionic magnetic moment of heteratomic ion were studied.

通过第一过渡系元素对纳米TiO〓光催化剂的掺杂，发现催化活性与掺杂元素的稳定氧化态的电子亲和势Ea与离子半径r的比值Ea/r有顺应关系，该比值越大，催化活性越低。

The total of 36 compounds were characterized by X-ray single crystal diffraction, EA, TG, IR, luminescence, adsorption, XPS, powder XRD, M〓ssbauer spectra, EPR, magnetical measurements.

本论文利用水热法，成功设计和合成出三个系列Ln-M(M=Mn〓，Fe〓，Ag〓)共23个未见文献报道的稀土—过渡混合金属配位聚合物，同时也得到了结构新颖的仅含稀土或两种不同过渡金属的从一维到三维的聚合物13个，并对它们进行了结构、元素分析、热重分析、红外光谱、荧光、吸附、磁性、光电子能谱、粉末衍射和M〓ssbauer谱等表征。

The Isocon analyses also shows that the altered quartz sandstone of the Salitashi deposit which enriches in Cd, As, Ba, Sb, Ag, Co, Ni and Fe, gained Pb, Zn, Cd, Ag, Co, but lost Mn, Zr, Ba, V and Cr during it alteration, the ore and its dolomitized limestones intensively enrich in Ag, Cd, As, V, Cr, Co, Ni and Cu also.

矿石中强烈富集Ag、Cd、As和过渡族元素V、Cr、Co、Ni、Cu，且Cr、Co、Ni在矿石中的富集程度远远高于矿区碎屑岩，近矿白云质灰岩具有和矿石相近的元素富集特征，该矿床的早期矿化和后期的改造成矿作用都与深部岩浆去气有关。

Employing high-dilute method and 5-fold excess amine prepared two new "two-armed" acyclic diamine intermediates I_a and I_b, which are also intermediates of synthesizing microcyclic compounds, and eight aromatic Schiff bases, II_, were synthesized from reaction of I_a or I_b condensing with different aromatic aldehydes. Their composition and structure were characterized by Elemental analysis, IR, UV-Vis, LIF,~1HNMR and MS. The hydrogen bond interactions and MS fragmental patterns were also discussed.3. Several novel transition metal complexes using II_a as ligand were synthesized and identified by Elemental analysis, IR, UV-Vis,~1HNMR and molar conductivity.

1，采用高度稀释及胺过量五倍的方法合成了两个具有吡啶双酰胺臂的非环二胺Ⅰ_a和Ⅰ_b，并以它们为中间体进一步合成了八个芳香席夫碱Ⅱ_a-Ⅱ_h，通过元素分析及各种波谱测试鉴定了它们的组成与结构，对化合物的UV-Vis、LIF、IR、~1HNMR及MS进行了较为详细的讨论，还探讨了席夫碱的氢键相互作用及质谱裂解方式； 2，以席夫碱Ⅱ_a为配体合成了几个新型的过渡金属配合物，并通过元素分析、UV-Vis、IR、~1HNMR、摩尔电导及DTA—TG对其进行了表征，讨论了化合物的配位情况及配体在配位中的脱质子行为。

Ionization Potentials and electron affinities of 103 elements are calculated by density functional theory at local density approximation level and the LDA/AN level with further non- local corrections for exchange and correlation included self- consistently.

应用密度泛函理论的 DFT- LDA、 DFT- LDA/NL和改进的 Slater过渡态方法，把元素的电离能和电子亲合能的计算扩展到周期表的 103种元素。

As she looked at Warrington's manly face, and dark, melancholy eyes, she had settled in her mind that he must have been the victim of an unhappy attachment.

每逢看到沃林顿那刚毅的脸，那乌黑、忧郁的眼睛，她便会相信，他一定作过不幸的爱情的受害者。

Maybe they'll disappear into a pothole.

也许他们将在壶穴里消失