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These data were used to infer the molecular formula and the elemental compositions of all the fragmental ions through software interpretation and, by further applying fragmentation regularities of mass spectrometry, the majority of ions were fully assigned. A base peak at m/z 402 in the mass spectrum was found as the molecular ion. The fragments were created mainly from the fragmentations of the tetrahydrofuran rings and the hydroxyl group. The most fragment products contain the dimethoxy phenyl group.

利用这些数据通过软件导出了分子式和所有碎片离子的元素组成，由此进一步根据质谱裂解规律对石梓醇分子的电子轰击质谱的主要裂解碎片给出了完全的归属，质谱中发现基峰为分子离子峰(m/z402)，裂解碎片主要来自双骈四氢呋喃环的裂解和羟基引起的裂解，绝大部分裂解产物包含二甲氧基苯基基团。

Since the molecular clip of glycoluril is also an important supramolecular host but few studies have been done in the field of fluorescent chemosensor,we proceeded with some experiments and research in this field as a trial and designed a series of novel fluorescent chemsensors including different three-dimensional cavities by introducing the fluorophores into the receptor.Their recognition and sensing abilities toward various metal ions and neutral guests were studied.

因此，我们(来源：A1dBC论文网www.abclunwen.com)做了一些尝试性的研究，在传统的甘脲主体化合物上引入荧光发色团，设计了一系列新型的、拥有不同立体空腔的荧光分子夹，并研究了它们对各种金属阳离子以及酚类中性客体分子的识别和荧光传感性能。

The new synthesis techniques, applied properties, high-effect compounding optimization mathematical model, thermolytic dynamics of PVC stabilizing system containing organic antimony compounds, the accurate molecular structure and optimal geometry of antimony mercaptides and the heat stabilizing mechanism to PVC have been studied systematically.

据此，本文研究了性能优异，应用前景广阔的含Sb-S键的有机锑化合物的合成方法，应用性能、含有机锑热稳定体系的高效配方模式、热分解动力学及机制，以及从分子水平研究了疏醇锑分子的精确结构及其对PVC的热稳定作用机理。

The relaxation strength obtained from Cole-Cole plots (1) is associated with the amount of water molecules subjected to electric conduction, while the obtained from Cole-Cole plots (2) mainly represents the total amount of methylol groups and adsorbed water molecules possible to reorient.

由 Cole-Cole 圆弧则(1)得到的弛豫强度与进行离子导电性的水分子的数量有关，而由 Cole-Cole 圆弧则(2)得到的弛豫强度则代表木材中可能进行回转取向运动的伯醇羟基和吸着水分子的总数。

The multicycle laser pulse is synthesized by a 10 fs/800 nm fundamental pulse and a 15 fs/1200 nm control pulse.

利用波长为800 nm，脉宽为10 fs的基频场和波长为1200 nm的控制场组成的双色场作用于不对称分子，发现不对称分子的高次谐波在平台区的末端呈现出光滑的超连续结构。

It requires nonconventional methodologies and strategies for Quantum chemistry to treat excited states, especially for the excited states that have the same spin multiplicity as the ground state and has no symmetry.

利用量子化学方法计算分子的激发态需要非常规的方法和策略，特别是对那些具有与基态相同的自旋多重度而又没有任何对称性的分子的较高激发态。

Optical control of the primary step of photoisomerization of the retinal molecule in bacteriorhodopsin from the all-trans to the 13-cis state was demonstrated under weak field conditions (where only 1 of 300 retinal molecules absorbs a photon during the excitation cycle) that are relevant to understanding biological processes.

在弱场条件下（整个兴奋周期中，300个视黄醛分子中只有一个吸收光子），细菌视紫红质中视黄醛分子的从全反式到13－顺式状态的光致异构化的最初阶段的光学控制被阐明，这与生物学过程的理解有关。

The distribution of prolyl peptide bond conformations, Ramatrandran distribution, atom distance of main chain, distribution of conformation energy after 300 times simulated annealing are analyzed.

通过模拟退火的分子动力学方法，对2种BPP分子的4种构象(cis-BPP-5b、trans-BPP-5b、cis-BPP-9a、trans-BPP-9a)在经过300次模拟退火后的脯氨酸肽键的构象分布、Ramatrandran分布、主链上原子距离、构象能量的分布进行了统计分析。

C An attempt is initiated to separate a mixture of different forms of the same molecule and isolate a desired form of the molecule for pharmacological or other reasons (e.g., separation of racemic mixtures).

尝试分离相同分子的不同形态的混合物，并隔离出药用分子的想要获得的形态。或者其它原因（如，消悬体混合物的分离）。

The basic conceptions, including adiabatic ionization energy, vertical ionization energy, superexcited states, photoionization cross section, Rydberg state of atomic and molecular, dissociation and predissociation are discussed in detail.

着重讨论了同步辐射真空紫外光在原子分子研究领域中的应用，详细讨论了光与物质相互作用的一些基本概念，包括绝热电离能、垂直电离能、超激发态、光电离截面、原子分子的Rydberg态及离解和预离解的定义及相关的背景知识。

The labia have now been sutured together almost completely.The drains and the Foley catheter come out at the top.

此刻阴唇已经几乎完全的缝在一起了，排除多余淤血体液的管子和Foley导管从顶端冒出来。

To get the business done, I suggest we split the difference in price.

为了做成这笔生意，我建议我们在价格上大家各让一半。