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Closed Orbits of the Hydrogen Molecular Ion within BOA 绝热近似下氢分子离子的闭轨道(英文)
The Calculation of Hydrogen Molecular Ion Energy in a Strong External Magnetic Field 平行强外磁场中的氢分子离子的能量计算
hydrogen molecular ion 氢分子离子
Mass specta of N-Benzylidene-1-methoxy-1-propylamine have been discussed,Logical loss of molecular ion was deduced. ? 讨论了1－甲氧基－N－（芳甲叉基）－1－丙胺类化合物的质谱，分析了主要碎片离子的产生过程，推测了该类化合物的裂分规律。
An organic compound capable of forming a hydrogen molecular compound such as a hydrogen clathrate is brought in contact with hydrogen gas in a pressurized state. 使可形成氢分子化合物如氢笼形物的有机化合物与氢气在加压状态下相接触。
Abstract The decomposition reaction of molecular ion of phenol and phenylmethylether had been stuied by molecular orbitals theory. 摘要本文利用分子轨道理论计算方法研究苯酚和苯甲醚分子离子分解反应，计算了分解反应中的前体离子、碎片离子和碎片的电离电位和内能。
Several organic peroxides have been split at appropriate conditions by which mass spectra graph with molecular ion has been made. 在高真空、缓慢进样的条件下，对这几种有机过氧化物进行质谱裂解，可得到带分子、离子的质谱图。
The results shows the molecular ion peak m/z 364[M+H]+, m/z156, were detected by ESI-MS; m/z363[M]+ and m/z138,m/z181 and m/z154, m/z221 were detected by EI-MS. 用ESI-MS获得m/z364[M+H]+、m/z156等质谱峰,用EI-MS获得m/z363[M]+、m/z138、m/z181、m/z154、m/z221等质谱峰,并解释了其中的主要特征碎片离子。
The existence of carbonyl group in structure seems to be a factor that favors the formation of quasi-molecular ion (QMI) or other adduct molecular ion (OAMI) in positive mode. 化合物结构中羰基的存在似有利于化合物在正离子模式下形成准分子离子或其它分子加和离子。
The existence of carbonyl group in structure seems to be a factor that fayors the formation of quasi-molecular ion (QMI) or other adduct molecular ion (OAMI) in positive mode. 化合物结构中羰基的存在似有利于化合物在正离子模式下形成凖分子离子或其他分子加和离子。
No Sample fragments are found in negative ESI process, but a lot of fragments are almost presented in FAB process. Comparing these spectra, the fragments or molecular ion can be distinguished. 试样在负离子电喷雾电离（ESI）过程中不产生碎片峰，但是在FAB过程中产生许多碎片，比较这些谱图，就可以区别碎片峰和分子离子峰。
The results showed that the molecular ion peak of Aris A A is rather strong in the mass spectrum,the detection limit is 5 ng(signal to noise ratio=10). The sensitivity is high enough to determine Aris A A in CTPM. 测定结果表明;马兜铃酸A的质谱有较强的分子离子峰;最低检测限为5 ng(信噪比等于10);可以满足对中成药中马兜铃酸A测定之要求.
Adduct ions [M+NH_4]~+, protonated molecular ion [M+H]~+ and molecularion [M]~+. 观察到较高强度的加合离子[M+NH_4]~+、质子化分子离子[M+H]~+和分子离子[M]?
An intense sodium adduct appeared in their FABmass spectra, which was more abundant than the corresponding protonated molecular ion[M+H]~+ and may give more difinite information about molecular weight of the sample. 结果表明:在FAB谱中[M+Na]~+加合离子的丰度要比[M+H]~+离子高得多。
Water contains hydrogen and oxygen. 水含有氢和氧。
No sample fragments are found in negative ESI process, but a lot of fragments are almost presented in FAB process.Comparing these spectra,the fragments or molecular ion can be distinguished. 试样在负离子电喷雾电离（ESI）过程中不产生碎片峰，但是在FAB过程中产生许多碎片，比较这些谱图，就可以区别碎片峰和分子离子峰。
The samples were dissolved in dimethyl sulfoxide (DMSO) and the data were recorded by positive ion mode.No any other fragment was found except for little molecular ion which loses a chlorine atom. 样品溶解在二甲基亚砜中，以正离子方式记录谱图，结果发现除产生一个失去氯原子的分子离子峰外，没有任何碎片峰。
The two different ionization techniques are complementary as more ion fragmentation information can be obtained from the EI mode while more molecular ion information from the NCI mode. 通过对两种离子源技术的对比研究发现,EI方法能够提供更多的碎片和结构信息,NCI方法能提供分子离子(相对分子质量)信息,两种信息互补,可提高定性的可靠度。
Some of the molecular ions fragment into smaller daughter ions and neutral fragments. 有些分子离子断裂成为较小的子离子和中性碎片。
Much structure information is obtained on the base of the molecular ion MH+,the additive ions [M+ 73]+ and the pyrrolic fragment ions. 通过分子离子MH+，加合离子（M十73）+，以及吡咯环碎片离子可获得丰富的结构信息。