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戊烯

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Theoretical investigation of the solvent effects on the mechanism of the reaction of pentafulvenone with hydrocyanic acid to produce the main product of acid of type b was carried out at B3LYP/6-311+G** level via the conductor-like polarizable continuum model.

在B3LYP/6-311+G**计算水平上,采用导体极化连续模型研究了溶剂化效应对6-亚甲基环戊二烯酮与HCN反应生成主要产物b类酸的反应机理的影响。

Theoretical investigation of the solvent effects on the mechanism of the reaction of pentafulvenone with hydrocyanic acid to produce the main product of acid of type b was carried out at B3LYP/6-311+G(superscript **) level via the conductor-like polarizable continuum model.

在B3LYP/6-311+G计算水平上,采用导体极化连续模型研究了溶剂化效应对6-亚甲基环戊二烯酮与HCN反应生成主要产物b类酸的反应机理的影响。

As fine chemical raw material, isoprene can be used to produce various perfumes, medicines, pesticide intermediates such as high value-added linalool, pyrethroid and ionone.

化学级异戊二烯是精细化工的原料,可以生产高附加值的芳樟醇、拟除虫菊酯、紫罗兰酮等多种香料、医药、农药中间体。

These results suggest that MmedCSP1 is involved in the process of storing and releasing methyl salicylate, pentane, ocimene,β-ionone, 3, 4-dimethylbenzaldehyde, 2-hexanone and cis-3-hexen-l-ol for M. mediator, and has different transport capability in storing and releasing those odorants.

这些结果提示MmedCSP1参与中红侧沟茧蜂对水杨酸甲酯、戊烷、罗勒烯、β-紫罗兰酮、3,4-二甲基苯甲醛、2-己酮和叶醇等气味的识别过程,且在不同气味中的识别过程中对于气味的运输能力有差异。

The results showed that MmedCSP1 could bind to methyl salicylate, pentane, ocimene,β-ionone, 3, 4-dimethylbenzaldehyde, 2-hexanone and cis-3-hexen-l-ol.

结果表明:MmedCSP1只能与水杨酸甲酯、戊烷、罗勒烯、β-紫罗兰酮、3,4-二甲基苯甲醛、2-己酮和叶醇结合。

And one of the molecules I study is called isoprene, which is here.

我研究的分子之一,叫做异戊二烯,就是这个。

It is necessary to build a model to accurately estimate isoprene emission flux.

为准确估算异戊二烯的排放通量,建立其排放模式是非常必要的。

Isoprene needs to be extremely pure to make synthetic rubber.

用来生产合成橡胶的异戊二烯纯度要求是极高的。

In the polymerization system,there are two kinds of active centers having higher catalytic activity for isoprene polymerization.

事实表明,该聚合体系中存在着两种过渡金属活性中心,它们按各自的机理进行异戊二烯的聚合。

One of these petroleum by-products is isoprene.

这些石油副产品之一便是异戊二烯。

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