查询词典 ionization potential

Thirdly, electronic properties, such as HOMO and LUMO energies, band gaps, the ionization potential and electron affinity of 2, 7-linked and 3, 6-linked carbazole trimers, two conjugated oligomers with different linkage of carbazole, were studied by the density functional theory with Becke–Lee–Young–Parr composite exchange correlation functional (B3LYP).

第三，采用密度泛函理论在6-31G*基组上分别优化了两种2，7-和3，6-咔唑三聚物的电子结构，如HOMO和LUMO能级，能隙，电离能和电子亲和势。

A number of v=0~57 vibration levels were determined and assigned. The levels cover more than 99% of the potential well depth of the state. No evident autoionization was found related to the levels belonging to the 13 g- state above the ionization threshold, implying the distinct character of the doubly excited valence state from the Rydberg states.

并发现13 g-态能级即使超过电离限时亦无明显的自电离倾向，反映了双电子激发态不同于里德堡态的独特性质。13 g-态是碱金属双原子分子电离限以下唯一的3 g-对称性的态和电离限下唯一较纯的双电子激发态，这些结果为分子结构和量子化学的定量研究提供了重要的信息；（2）通过检测Na 3d 3p原子荧光，观察到Na2分子的33 g和43 g+态在3s+3d解离限以上的预解离能级及其转动线宽加宽等。

The potential AD patients showed more significant impairment in olfactory function (the average value of DT and RT were respectively 1.970±0.903 and 3.081±0.474) than the controls (the average value of DT and RT were respectively 1.468±0.933 and 2.542±0.748), some of the potential AD patients were anosmia; The DT average value of the controls were significantly lower than the potential AD patients't=2.166, p

本研究中发现可能AD 患者嗅粘膜有与AD 脑内病理改变相关的神经丝堆积，可将其作为研究AD 活的神经细胞的来源。因此怎样不断完善和改进嗅觉检查方法，以进一步提高其早期拟诊AD 的敏感性和特异性，将具有广阔的科研前景和重要的临床应用价值。

Results of cyclic potentiodynamic polarization curve measurement showed that the manufacture of NiTi and stainless steel wires had a significant influence on the breakdown potential, potential difference between breakdown and protection potential, and passive range.

循环动电位极化曲线量测结果显示，镍钛及不锈钢线的厂牌对其崩溃电位、崩溃电位与保护电位差值及钝态区范围均有显著影响；环境的pH值对镍钛及不锈钢线的钝态区范围也有显著影响。

The needed potential for the oxidative dissolving of chalcocite increases gradually with the decrease of Cu/S ratio in this mineral during leaching of chalcocite. When chalcocite changes fully into covellite the needed potential for leaching to produce element sulfur and Cu〓 maintains unchangeable. The mixed culture of thiobacillus ferrooxidans was separated from a acid mine drainage, During culturation of bacteria there is following relation between the potential of solution and the ratio of /, E=0.64+0.0791g {/}.

绘制了Cu-S-H〓O系和Cu-S-Cl-H〓O系的电位-pH图，计算分析后得出在含Cl〓体系中浸铜时不会形成固态CuCl的结论；在辉铜矿氧化溶解时，固相的铜硫比逐渐降低，溶解所需的电位逐渐升高，到完全转化为铜蓝时，其氧化溶解产生元素硫和Cu〓所需的电位不再升高。

In this paper, taking the downward continuation of potential field as an inverse problem of upward continuation, we obtain a convolution type linear integral equation for downward continuation. Making use of the orthogonal symmetry characteristic of Fourier transform matrix, and combining the principles of singular value decomposition of matrix and generalized inverse, we proposed a stable generalized inverse method for downward continuation of potential field, called wavenumber domain generalized inverse algorithm, which doesn't need the computation for inverse matrix. It resolves the instability of potential field downward continuation of large depth.

本文通过把位场向下延拓视为向上延拓的反问题，得到向下延拓的褶积型线性积分方程，再利用Fourier变换矩阵的正交对称特性，并结合矩阵的奇异值分解和广义逆原理，提出了一种稳定的不需要进行求逆运算的位场向下延拓广义逆方法——波数域广义逆算法，解决了位场大深度向下延拓的不稳定性问题。

In the first four sections of this paper, these basic knowledge and calculational methods for the study of potential energy function are simply introduced. 9-parameter Murrell-Sorbie analytical potential energy function that can accurately describe especial potential energy function of diatomic molecule is obtained through calculations and analysis for the first time.

本文前面部分在简单介绍与分子势能函数研究相关基础理论知识和计算方法的基础上，通过计算、分析比较，首次得到了能够正确描述双原子分子特殊势能曲线的九参数Murrell-Sorbie解析势能函数。

According to the theory of electrical double layer potential in a capillary and the relation between Zeta potential and cation exchange capacity, the radial distributions of potential and ions concentration are assured.

为研究含水泥质砂岩导电特性的机理，由单毛管双电层电位理论和阳离子交换量与Zeta电位的关系，得到了毛管径向电位分布和离子浓度分布。

Avatar communication has the potential to change that, and this potential defines the potential of our fledgling industry.

虚拟交流有改变的潜力，这种潜力揭示了我们这个新兴产业发展的潜力。

Results from whole-cell patch clamp showed: 1 BmK Ⅰ(α-like neurotoxin) was found to prolong the duration of action potential and promote the amplitude of action potential. The effects could be attributed to the selective action of BmK Ⅰ on the TTX-S Na〓 channel: slowing the inactivation process of Na〓 channel, increasing the amplitude of peak Na〓 currents; 2 BmK abT, a new-type neurotoxin with higher sequence homology to β-type scorpion neurotoxin, was found to slow the inactivation process of Na〓 channel and prolong the duration of action potential in DRG neurons.

全细胞膜片钳研究发现：1）类α型哺乳动物毒素BmK Ⅰ可延长部分DRG神经元全细胞动作电位的时程，增加动作电位的幅度，这些效应可归咎于BmK Ⅰ选择性地作用于DRG神经元TTX—S钠通道，延缓TTX—S钠电流的失活化相，峰钠电流幅度增加；2）BmK abT，一个与β型毒素同源性较高的新型蝎毒素可抑制DRG神经元全细胞钠电流失活化过程，使动作电位时程增加。

I was just taking her hand, to help her out of a car, and I knew it.

我只是握着她的手，扶她下车，但我知道这一切。

China and South Korea have excoriated Japan over its approval of new school books which they say whitewash the atrocities committed during Japanese occupation, and anti-Japanese protests have been held in Chinese cities. The lingering bitterness over Japan's past imperialism still threatens to mar relations between the big East Asian powers

中国和韩国强烈谴责日本通过新的中学历史教科书，他们认为这一教科书掩盖了日本在其占领期间所犯下的残酷暴行，反日抗议活动在中国数座城市发生，历史上日本帝国主义制造的痛楚无法被忘却，这有可能破坏东亚强国间的关系。