1、

Theoretical Study on the Conformers and the C& C Bond Reaction Activity of Oxalyl Chloride Cation

草酰氯一价正离子构象及其碳&碳键反应活性的理论研究

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2、

We observed that VST has two conformers ( trans and cis) exchanging slowly in DPC micelles.

我们观察到在DPC胶束中,VST存在两种构象(反式和顺式)NMR时间尺度上的快交换现象。

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3、

The classification of DNA conformers and its significance

DNA构象体的分类及其意义初探

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4、

Comparing the results in solution with the gas-phase ones, the charge separation of the third excited singlet states of both conformers is very good.

与气相结果相比,复合物溶剂条件下两种构象的第三激发单重态均发生完全电荷分离。

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6、

The H-bonds especially two linked H-bonds much improve the stabilization of the asparagine conformers and can also impact other properties of asparagine.

氢键特别是两种联氢键的存在可以大大提高天冬酰胺构型的稳定性,同时也强烈影响天冬酰胺的其它性质。

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7、

We calculate the vertical and adiabatic ionization energies, vertical and adiabatic electron affinities of asparagine conformers.

我们计算了天冬氨酸的垂直和绝热电离能、垂直和绝热电子亲合能。

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8、

They are said to be conformational isomers also called conformers.

它们叫做构象异构体,也叫做异象体。

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9、

Result The result that ( FCO ) 2 have trans-and cis-conformers are consist with spectrum analysis.

结果得到了与光谱分析一致的结果,草酰氟分子有平面反式和顺式2种构像.

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10、

In addition, the result derived from G3MP2 shows that the heats of formation of all conformers are positive and heats of formation of ring con-formers are greater than those of chain conformers.

G3MP2计算结果表明氮氢化合物的生成热均为正,并且环状分子的能量和生成热都高于链状分子。

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11、

Furthermore, we also found the presence of a variety conformers in solution of capecitabine and trandolapril, and then elucidated its stereostructure by NMR spectroscopy and quantum chemistry calculation for the first time.

同时,本研究首次发现群多普利和卡培他滨在溶液中存在多种构象异构体,并通过NMR实验和量子化学计算阐明了其立体结构。

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