查询词典 chemistry

This thesis is based on former studies made by our team. Combining with practical conditions, the thesis selects proper basis sets. Applicable and credible quantum chemical calculation methods were adopted to calculate structural optimization, net atomic charge, orbit energy, etc. for a series of compounds against parasite fasciola hepatica according to quantum chemistry theory.

本论文在课题组以前的研究工作基础上，选取应用性好、可靠性强的量子化学计算方法，并结合实际情况选择合适的基组，从量子化学理论角度出发，对于合成的抗肝片吸虫系列化合物进行了结构优化、原子净电荷、前线轨道分布等量化计算。

A Marcus electron transfer theory coupled with an incoherent polaron hopping and charge diffusion model in combining with first-principle quantum chemistry calculation was applied to investigating the effects of heteroatom on the intermolecular charge transfer rate for a series of heteroacene molecules.

结合第一性原理的量子化学计算，在极化子跳跃和电荷扩散模型框架内应用Marcus电子转移理论研究了杂原子取代对一系列杂原子化的多并苯分子的分子间电荷转移速率的影响。

For distinctly understanding the mutual influence between the structural units, a series of compounds from five and six-membered C-N heterocycle substituting the tetrazine ring are designed. These several types of compounds are studied by means of the quantum chemistry calcualtions and discussed the influence of the structural units upon the main performance (heat of formation, density, velocity and pressure of detonation) and found out the best combination of performance.

为了更清楚的了解结构单元之间的相互影响，设计了六元氮杂环和五元氮杂环取代1，2，4，5-四嗪得到了一系列化合物，采用量子化学计算方法对它们进行了详细的理论研究，讨论了各种氮杂环的改变对四嗪类化合物性能(包括生成热、密度以及爆速和爆压等)的影响，并找出爆轰性能较好的结构单元组合。

The 4-acetylenyl phenylformic acid synthesized with the method contains carboxyl and terminal alkynyl, and is a valuable synthesized used in organic chemistry and is of great prospect to be applied in biomedicine, medicine field, etc, particularly in replacing phenylacetylene which is recently widely used in the synthesis of aromatic heterocycle, such as triazole.

本发明方法合成的4-乙炔基苯甲酸结构中含有羧基和末端炔基，是有机化学中极有价值的合成"砌块"，在生物医学、医药等领域有着十分重要应用前景，特别是取代苯乙炔近年来被广泛用于三唑等芳香性杂环的合成。

Square system and Hexagonal systems are widely applied in statistical physics and chemistry.

四角系统和六角系统在统计物理和化学上有着广泛的应用，本文主要研究格子系统的独立集的计数。

She provided both the good work and the good chemistry every high-tension effort needs.

在高压之下取得成就，需要优质的工作和融洽的人际关系，她两方面都能提供。

Her early studies in chemistry, in part under the tutelage of Nobel Laureate Dorothy Hodgkins, were key to the U.K.'s strong and successful advocacy that ozone-depleting CFC's be banned worldwide.

她早年在化学方面的研究经历（部分地是在诺贝尔奖获得者多罗西·霍吉金斯的指导下进行的）是英国强硬而且成功地呼吁在全世界禁用破坏臭氧层的氟利昂的关键因素。

Despite having rekindled this other love, Hoffmann has no regrets about choosing chemistry as a young man.

尽管已经点燃了从前的爱好，霍夫曼对于年轻时选择化学也廖无遗憾。

The bane argues to know data Endanger an effect healthily:NONE The environment influence:NONE The physics and chemistry bane:NONE Special bane:The AZO-FREE passes the ICP method analysis test to have no related of lead over 100 ppms, Ge over 5 ppms 9.5 a fires and the explosion danger The order:Obsolescent Combustible extreme limit(the air lie quality:Vol%):non-combustible product Apply to extinguish fire:The water,water sprays fog,carbon dioxide,the stem powder to extinguish fire a ,foam to extinguish fire The special sex protection equipments of the fire fighter:Need to go together with to take the goggle and anti-virus mask Very the rules a fire and the explosion danger:When the temperature hoick, the product meeting because of hot bulge cold but cause to open 9.6 Respond sex Stability:Under the normal regulations condition stability Environment should avert from:The water immerse,affect by damp and cold,clear fire perhaps the temperature is high in 500 ℃s Incompatibility:Have no Dangerous of decline a solution an outcome:Have no Dangerous polymer reaction:Will not take place 9.7 health dangers Dangerous way:Inhale, take, the skin and eyes get in touch with solid perhaps dust-The physics contact may result in allergic sex respond.

危害辩识资料健康危害效应：NONE 环境影响：NONE 物理性及化学性危害：NONE 特殊危害：AZO-FREE 通过ICP方法分析测试无相关之铅超过100ppm，镉超过5ppm 9.5火灾和爆炸危险闪点：不适用可燃极限：不燃物品适用灭火剂：水、水喷雾、二氧化碳、干粉灭火剂、泡沫灭火剂消防人员之特别性防护设备：需配带护目镜和防毒面具非常规火灾和爆炸危险：当温度急剧上升时，产品会由于热胀冷缩而导致开裂 9.6 反应性稳定性：在常规条件下稳定应避开的环境：水浸、受潮、明火或者温度高于500℃不相容性：无危险的降解产物：无危险的聚合物反应：不会发生 9.7健康危险危险方式：吸入，摄取，皮肤和眼睛接触固体或者灰尘----物理接触可能造成过敏性反应。

Bone chemistry analysis is not only one of main methods but also the most effective method to reveal hominid diets.

骨化学分析是探索古人类食物结构的主要方法，也是最为有效的方法。

Lugalbanda was a god and shepherd king of Uruk where he was worshipped for over a thousand years.

Lugalbanda 是神和被崇拜了一千年多 Uruk古埃及喜克索王朝国王。

I am coming just now,' and went on perfuming himself with Hunut, then he came and sat.

我来只是现在，'歼灭战perfuming自己与胡努特，那麼，他来到和SAT 。