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1)  protonated clusters
质子化团簇
2)  protonated cluster ion
质子化团簇离子
1.
Ionic products were detected by the time of flight mass spectrometer A series of protonated cluster ions were measured:(C_2H_5OH)_nH~+ and(C_2H_5OH)_n(H_2O)_mH~+(n=1-12,m=1-4),which were produced from the proton transfer reactions in the clusters.
实验观测到多个序列的质子化团簇离子:(C2H5OH)nH+和(C2H5OH)n(H2O)mH+(n=1-12,m=1-4),其产生是通过团簇内的质子转移反应。
2.
Two series of protonated cluster ions,(CH_3OH)_nH~+(n=1-15) and(CH_3OH)_n(H_2O)H~+(n=7-15),were measured by technology of MS.
应用Nd:YAG脉冲激光器输出的355nm紫外激光实现了对甲醇的多光子电离,通过质谱技术观测到了两个质子化团簇离子系列:(CH3OH)nH+(n=1-15)和(CH3OH)n(H2O)H+(n=7-15),结合在HF/STO-3G和B3LYP/6-31G++水平上的从头计算对其反应通道做了分析,发现其产生经过了团簇内部的质子转移反应,且质子主要来自于羟基上的氢离子。
3.
Ionizes using the 355nm laser from the argon air-borne generation of methanol/ethanol/water pulse molecular beam,the time of flight mass spectrum observes many sequences of protonated cluster ions:(CH3CH2OH)nH+,(CH3OH)(H2O)(CH3CH2OH)nH+,(CH3OH)(CH3CH2OH)nH+,(CH3CH2OH)n(H2O)2H+ and(CH3CH2OH)n(H2O)H+(n=0~4).
利用355nm激光电离由氩气载代的甲醇/乙醇/水脉冲分子束,飞行时间质谱观测到多个序列的质子化团簇离子:(CH3CH2OH)nH+,(CH3OH)(H2O)(CH3CH2OH)nH+,(CH3OH)(CH3CH2OH)nH+,(CH3CH2OH)n(H2O)2H+和(CH3CH2OH)n(H2O)H+(n=0至4)。
3)  Protonated methanol cluster
质子化甲醇团簇
4)  protonated ammonia cluster
氨质子化团簇
1.
Studying the structures of protonated ammonia clusters(NH_3)~nH~+(n=1~8)with density functional theory;
用密度泛函理论研究氨质子化团簇(NH_3)_nH~+(n=1~8)的结构
5)  Molecular clusters
分子团簇
6)  atomic cluster
原子团簇
1.
Atomic clusters (clusters for short) are the aggregates of atoms or molecules in the size range from a few to thousands of the components.
原子团簇(简称团簇)是几至上千个原子或分子组成相对稳定的聚集体,其性质与单个原子、分子和大块固体均不相同,例如,幻数和壳结构、量子尺寸效应、表面效应和库仑爆炸等。
2.
Experimental system of laser interaction with atomic clusters was founded.
研究建立了激光与原子团簇相互作用的实验系统。
3.
The molecular dynamic simulations have been performed to study the atomic clusters evolution during various cooling processes of Cu-50%Ni alloy (atomic fraction).
采用NPT分子动力学模拟方法,应用周期边界条件,模拟了Cu-50%Ni(原子分数)合金熔体在不同冷却过程中原子团簇的演变情况,给出了以1×1014K/s冷速冷却至室温时Cu-50%Ni非晶体系中存在的各种结构单元,并研究了Cu,Ni原子在这些结构单元中的排列情况。
补充资料:“质子-电子偶极-偶极”质子弛豫增强


“质子-电子偶极-偶极”质子弛豫增强


  物理学术语。原子核外层中不成对的电子质量小,但磁动性很强,可使局部磁场波动增强,促使氢质子弛豫加快,从而使T1和T2缩短,这种效应即为PEDDPRE。过渡元素和镧系元素大部分在d和f轨道有多个不成对电子,所以其离子往往具有PEDDPRE,可用来作顺磁性对比剂,如钆(Gd)。Gd在外层有7个不成对电子,具有很强的顺磁性。
  
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