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For the new compound of 1,2,5-selenadiazolo [3,4-d] pyrimidine-5,7-(4H,6H) dione, two peaks with the same mass spectra could he observed in the GC separation, which were considered to be its two isomers.

新化合物1,2,5-硒二唑并[3,4-d]嘧啶-5,7-(4H,6H)二酮在色谱柱内出现11.83min和7.96min两个具有相同的质谱的色谱峰,被认为是互变异构体的峰。

The tautomerism of neutral cytosine in gas phase was investigated byB3LYP/6-311+G** method.

利用密度泛函理论的B3LYP/6-311+G~方法,研究了胞嘧啶分子的互变异构化现象。

In poly the chain scission is based on the ozone oxidation of the alcoholic groups of PVAL with formation of ketone groups which in turn are the source of a ketoeenol tautomerism which leads to random chain scission by further ozone attack.

聚乙烯醇的乙醇基在臭氧的氧化作用下形成酮基,并依次成为酮烯醇互变异构现象的源头,在臭氧的进一步攻击下导致链无规则断裂,从而产生断链作用。

All of this differences for spectra, especially the behavior of negative solvato-chromism in polar solvents, and the effect of pH value on the tautomerization of compound have been discussed in detail.

对出现这种差异,特别是负的溶致变色行为和在不同pH条件下分子的互变异构等对吸光谱的影响进行了讨论。

However, the real advantage of using protected enamines is that they allow the preparation of unsubstituted poly derivatives, upon deprotection, while avoiding tautomerization.

然而,真正的优势,使用保护enamines的是,他们让编写unsubstituted聚的衍生工具,后脱,同时避免互变异构。

The present invention relates to compounds of formula wherein R is hydrogen, lower alkyl, lower alkoxy, halogen or lower alkyl substituted by halogen; R is hydrogen or halogen; or R and R are together with the carbon atom to which they are attached -CH=CH-CH=CH-; R is hydrogen, lower alkyl, phenyl optionally substituted by halogen, or is hetaryl, optionally substituted by lower alkyl; R is hydrogen, lower alkyl, phenyl, benzyl, lower alkenyl, lower alkoxy, phenyloxy, benzyloxy, S-lower alkyl, halogen, CN, lower alkyl substituted by halogen or O-lower alkyl substituted by halogen; R is hydrogen or lower alkyl, aryl is phenyl or naphthyl; n is 1, 2 or 3; m is 1 or 2; and pharmaceutically acceptable acid addition salts and tautomeric forms thereof.

本发明涉及式化合物及其可药用的酸加成盐和互变异构形式,其中R 1 是氢、低级烷基、低级烷氧基、卤素或被卤素取代的低级烷基;R是氢或卤素;或R 1 和R与它们连接的碳原子一起是-CH=CH-CH=CH-;R 2 是氢、低级烷基、任选被卤素取代的苯基或者是任选被低级烷基取代的杂芳基;R 3 是氢、低级烷基、苯基、苄基、低级链烯基、低级烷氧基、苯氧基、苄氧基、S-低级烷基、卤素、CN、被卤素取代的低级烷基或被卤素取代的O-低级烷基;R 4 是氢或低级烷基,芳基是苯基或萘基;n是1、2或3;m是1或2。

The effect of tautomeric isomeride on magnetic interaction was discussed by molecular mechanics and CNDO/2 methods.

本文兼用分子力学和量子化学计算讨论了互变异构体对磁交换作用的的影响。

All the molecular complexes, obtained by the interaction between several low-lying tautomers of RNA nucleic acid and Ca^+ on the different binding sites, were considered.

通过考虑Ca^+作用于RNA碱基互变异构体的不同位置,获得了所有稳定的复合物。

The preference conformations of 10 possible tautomers of 5-fluorocytosine were calculated by the BH-HLYP/6-311+G(superscript **) method, in both the gas and aqueous phases, with full geometry optimization.

采用BH-HLYP/6-311+G方法对10种气相和水相中可能存在的5-氟胞嘧啶互变异构体进行了几何全优化,并计算出它们的总能量和吉布斯自由能。

The preference conformations of 10 possible tautomers of 5-fluorocytosine were calculated by the BH-HLYP/6-311+G** method, in both the gas and aqueous phases, with full geometry optimization.

采用BH-HLYP/6-311+G**方法对10种气相和水相中可能存在的5-氟胞嘧啶互变异构体进行了几何全优化,并计算出它们的总能量和吉布斯自由能。

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