分子内的

The charge-remote fragmentation of protonated alkylamines and the fragmentation of alkylamine ions can be explaned by using the radical mechanism and hydrogen abstraction of intramolecule, respectively.

自由基机理可以解释质子化脂肪胺分子的远电荷反应。分子内氢抽取可以解释脂肪胺分子离子的碎裂反应。

The influences of the inclusion of Na~+ into each conformer (C7AB, C7"AB, C7eqB, C5A, C7axB orα"B) of AD molecule on the Ramachandran angles of molecular backbone and the hydrogen bonds in AD moiety were discussed in detail. It was found that in the forming process of bidentate structures of Na~+-AD ion-complexes, the original H-bonds in AD molecule were fully broken down, accompanying with the new formation of the two Na-O bonds.

论文中详细探讨了Na~+-AD络合离子六种构象的空间构型，分析了丙氨酸二肽与Na~+作用过程中AD分子骨架Ramachandran角及分子内N(1)–H(1)…O(2)、N(2)–H(2)…O(1)、N(1)–H(1)…N(2)和N(2)–H(2)…N(1)氢键的变化，研究发现Na~+与AD分子形成双齿结构时，AD骨架中原先的氢键全部被破坏，继而形成了两个新的Na-O键；Na~+与AD分子形成单齿络合离子时，AD骨架中原先的氢键或者得到增强或者断裂之后出现新的强度更大的氢键。

The models of intramolecular and intermolecular energy transfer and relaxation processes are established.

Phen〓的发光效率大大减小，这是由于不同配合物分子间能量传递过程差别引起的，由此建立了分子内和分子间能量传递和弛豫过程模型。

Meanwhile, the isomer with a larger change of dipole moment has larger value of the first hyperpolarizability during the charge-transfer process.

5， 6， 7顶点双取代碳硼烷桥连分子受推拉电子基的影响，5， 6， 7顶点碳硼烷的构型发生一定变化，碳硼烷中两个C原子间的距离变长；同时碳硼烷中两个C原子取代位置的不同，影响了分子的稳定性和极化率，取代基团与碳硼烷中成键数较低的C原子相连的异构体，稳定性较好且具有大的极化率； 5，6，7顶点双取代碳硼烷桥连分子形成一维结构有利于分子内电荷转移，在电荷转移过程中偶极矩变化较大的体系，其二阶NLO系数也较大。

The small peptides always accomplish their configuration in the cell. Through molecular recognition, they show biology function, completely representing the diversity and cooperation among molecules.

功能短肽总是在细胞中完成其构象变化，通过分子水平上的识别效应，实现其生物功能，充分体现了分子内及分子间相互作用力的多样性和协同性。

Moreover, the actual allele frequency of most varieties deviates far from Hardy-Weinberg equilibrium. All PPB、na 、I、h、Gi and Fst have proved to be the references to elucidate that ISSR is a most powerful tool to analyze genetic diversity, compared with the RAPD marker and the allozyme marker is less strong ordinally. We could divided the 70 samples into A, B, C, D and E five groups using three methods according to genetic distance clustering. There is a bit displacement for few varieties in different clustering maps, but the most are similar to morphological analysis despite that there is still a great difference among cultivars in the same one group. The above results imply that the three methods have the different sensitivity and resolution in genetic distance analysis of close varieties. The Mantel test indicates that the results from the three kinds of markers have the significant correlation, which demonstrates that the number of the used three kinds of markers is enough to exactly detect the diversity of all 70 samples to ideal extent. And these methods can be used to evaluate the diversity of the whole group using the miscellaneous samples instead of the individual sample, of the Gerbera jamesonii are mainly from tissue culture plants. In conclusion, the above study results provide a reference for the application of three kinds of molecular markers to molecular marker-assisted breeding of flower. 2. The genetic diversity among the eight introduced cut-flower varieties of Ranunculus asiatica was analyzed by the ISSR markers. Based on the genetic clustering tree, all the colorful flower varieties are clustered into one group, and the white flower varieties into another group. Moreover, among the former group the yellow flower varieties are clustered into one sub-group, and the reddish flower varieties, such as rose color, pink, nacarat, are clusetered into another sub-group.

由三种分子标记的分析结果可以看出，等位基因平均值、观察杂合度、Fis值、Fit值皆较高，表明非洲菊等位基因较丰富，杂合基因偏多，且绝大部份品种的实际等位基因频率在品种内偏离了Hardy-Weinberg equilibrium；PP8、na、Ⅰ、h、Gi及Fst皆表明，ISSR检测遗传多样性的能力最强，其次是RAPD，等位酶最低；根据遗传距离进行聚类，三种方法都把70个品种分成A、B、C、D、E五个大组，每一组中除少数品种发生位移外，大部份品种分类结果相似，且与形态分析结果有相似性，但在每一组中，品种间的聚类差别较大，表明这三种方法在近距离品种间检测遗传变异时灵敏度及分辨力不同；Mantel检测表明，三种标记的分析结果有显著相关性，表明所用的三种分子方法的标记数量已经可以相对无偏地检测到70个品种间遗传变异；非洲菊为组培苗，三种标记的检测结果皆表明，混合样品可以作为个体样品的代表，对整个居群的遗传多样性进行评价；这些研究结果可为三种分子标记方法在花卉分子辅助育种中的进一步应用提供借鉴。

However, Fermi resonance is an important role in the intramolecular vibrational energy transfer process, so we use the bend triatomic molecule model described by potential energy calculated from U(4) algebra, and the chaos of high excited molecular vibration can be studied by analyses of the intramolecular vibrational energy transfer process.

Fermi共振相互作用作为分子内能量转移的一种机制，在描述分子激发的完全振动方面有着重要的作用，因此，我们在构建弯曲三原子分子模型时引用了U(4)代数方法获得的势能面，从能量传递角度研究体系的混沌性质，是在多原子分子激发态领域研究非线性问题的合理延伸。

A plausible process of this reaction is as following: Aldehyde was in equilibrium with the enol form, aldehyde reacted with aniline catalyzed by 2,2,2-trichloroacetic acid to afford imine, the generated imine immediately reacted with enol to form intermediate via intramolecular cyclization.

我们发现一分子芳基叠氮和一分子三苯基磷反应生成一分子磷亚胺，后者与由两分子取代的苯氧乙酰氯原位生成的烯酮反应生成4-亚烷基-β-烷基-内酰胺，其串联过程涉及烯酮亚胺的形成及其与烯酮的[2+2]的环加成反应。

For SERRS of R6G excited at 514.5 nm, the enhancements of v151 and v154 are resulted from weak intermolecular (from Ag_2 cluster to R6G) CT and the strong intramolecular charge transfer (similar to that of RRS of R6G), respectively.

对于R6G分子在入射光为514.5 nm时产生的SERRS中，振动模v151和v154的增强分别来自分子间微弱的电荷转移(从Ag_2团簇到R6G分子)和强烈的分子内电荷转移(类似R6G的共振拉曼光谱)。

In this paper a new method has been proposed for computing the potential functions of internal rotations.

本文对分子内旋转问题作了以下的贡献：首先在理论上，提供了一种分子内旋转势函数的新的计算方法。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。