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This occurs in the core region of the star using the proton–proton chain reaction process.

这发生在太阳核区域的质子质子链反应过程中。

The mechanism of the reaction was studiedin detail,in which excited state avaliable to carryout the excited state intramolecular proton transferreaction was recognized.The INDO/S-CI semiempiricalMO method was used to calculate transition energiesand oscillator strength,and assign spectra theore-tically,the calculated spectra values were basicallyconsistent with the experimental values.Themolecular orbital properties for the adjacent HOMO-LUMO of various kinds of conformersand anion species,thetransition properties and symmetry for thetransition from ground state to lower excited stateswere analysed,especially,no much study on theanion species all of the world.

位能曲线的求法满足反应坐标是反应过程中能量最小途径的定义,较详细地研究了各类反应的质子转移历程,认定在哪个激发态有利于发生激发态分子内质子转移反应,用INDO/S-CI半经验MO方法进行跃迁能和振子强度计算及光谱的理论指认,计算的光谱值和实验值基本吻合,并分析了各种异构体和阴离子的HOMO-LUMO附近的轨道性质,各跃迁态的跃迁性质和对称性,尤其是对阴离子的研究国内外尚不多见。

The DFT (B3LYP/6-31 + G) method was used to study the relative stabilities and probable proton transfer in isolated and monohydrated 2,4-dithiothymine molecules in gas phase. The effects of water on relative stabilities and the rate of the proton transfer were analysed. The results indicate that only one tautomer for 2,4-dithiothymine can exist in gas phase.

采用密度泛函方法在B3LYP/6-31+G水平上研究了2,4-二硫基胸腺嘧啶孤立分子和水合物的异构体的相对稳定性和可能的质子迁移反应,分析了水分子的参与对 2,4-二硫基胸腺嘧啶异构体的相对稳定性和质子迁移速率的影响。

The difference in solvent polarity environment between excited state intramolecular charge transfer and proton transfer states leads to a remarkable ESICT/ ESIPT coupled reaction. In polar, aprotic solvents, in contrast to a unique PT tautomer emission observed in 3-hydroxyflavone (3HF), dual emissions are resolved, consisting of ESICT and ESIPT bands.

不同於化合物3-hydroxyflavone只观察到异构物的质子转移萤光放射峰的结果,在极性、非质子酸溶剂里,我们会观察到3-hydroxyflavone衍合物有两个萤光放射峰,是分别经由ESICT与ESIPT两种不同路径个别的贡献。

The reaction mechanism of thione-thiol tautomerism for 2,6-dithiopurine obtained from proton transfer has been investigated by DFT B3LYP method with 6-311+G basis set. The reaction enthalpies, activation energies, activation free energies and the rate constants of tautomerism were obtained.

采用密度泛函B3LYP方法,在6-311+G基组水平上对2,6-二巯基嘌呤质子转移引起的硫醇式与硫酮式互变异构反应进行了计算研究,获得了互变异构过程的反应焓、活化能、活化吉布斯自由能和质子转移反应的速率常数等性质。

In 1HNMR,the signals of hydrogen iN2-(4-fluorobenzoyl) benzoic acid became wide and shifted upfield,and those in Phen,TPPO shifted downfield.The excitation and emission spectra were recorded at room temperature.

在 1H NMR中,形成配合物后第一配体苯环上的质子峰变为宽峰且移向高场,Phen和TPPO中质子化学位移移向低场。

Four peaks of acridinium of 2 showed pronounced upfield shifts due to the conversion of acridinium to acridane in 5 equiv of either F-(Figure 3b) or AcO-(Figure 3c).

对于与中心吡啶环相邻的质子(ΔHa=1.48ppm)以及相对于吡啶的氮的对位质子((ΔHc=1.47ppm)观察到了最大的化学位移。

A new method to fabricate TM pass polarizers by introducing zig zag shaped proton exchanged regions adjacent to a Ti diffusion waveguide on X cut, Y propagation lithium niobate is presented.

提出了用扩钛和质子交换相结合的方法在x-切,y-传的LiNbO3衬底上制成TM通集成光波导偏振器的新方案,即在扩钛波导两侧的适当位置引入锯齿形的质子交换区。

The adrenochrome can also take part in oxidation-reduction reaction when the potential is about zero volt, consequently, there is another pair of oxidation-reduction peaks correspondingly in the cyclic voltammogram. The deproton step of the protonated adrenalinequinone, viz.

在强酸性溶液中,由于质子化的肾上腺素醌脱质子步骤即第三步难以进行,故不发生一系列后继化学反应,电解产物停止在肾上腺素醌,从而在循环伏安图上只有一对氧化还原峰。

DFT were carried out to optimize the conformational isomers with minimum energies. Peak separations in the methyl and azomethine signals were also found to originate from the rotation hindrance of the N-N bond. After N'-acylideneacetohydrazides were converted to 1, 3, 4-oxadiazole compounds, the proton signal of the methyl group appeared as a single peak.

端甲基质子和次甲基质子信号裂分也来源于N-N键旋转受阻。N'-苄基酰腙通过缩合反应转变成1,3,4-二唑化合物,消除了甲基空间取向的差异,其信号变为单峰。

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