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1)  high-spin states in even-even nuclei
偶偶核高自旋态
1.
Starting from shell model configurations and effective nucleon-nucleon interactions,we proposed a microscopic approach to study the properties of high-spin states in even-even nuclei in terms of the generalized boson expansion theory.
从壳模型组态及核子-核子有效相互作用出发,借助于广义的玻色子展开方法,建立了一种研究偶偶核高自旋态的微观理论方案。
2)  Nuclear spin-spin coupling
核自旋-自旋偶合
3)  nuclear spin-spin coupling constant
核自旋偶合常数
1.
A theroretical calculation on C-H nuclear spin-spin coupling constants;
直接键链~1JC-H的核自旋偶合常数的理论计算
2.
Their nuclear spin-spin coupling constants of C-C-F bonds were also calculated by the same method,which can be used to set up a general equation for the calculation of spin-spin coupling constants.
用密度泛函B3LYP方法,在6311G基组上对36个化合物进行构型优化、频率分析,计算了C C F的核自旋偶合常数2JC C F。
4)  spin-spin coupling constants(SSCCs)
核自旋-自旋偶合常数
1.
By calculating indirect nuclear spin-spin coupling constants(SSCCs) with coupled perturbed density functional theory(CPDFT) using 6-311+G(3df) basis set.
利用传统的密度泛函理论在B3LYP/6-31+G(d)水平上优化了铝簇(Aln+,Aln与Aln-,n=2~9)的几何结构,并利用偶合的微扰的密度泛函理论在B3LYP/6-311+G(3df)水平上计算了核自旋-自旋偶合常数。
5)  spin-coupling
自旋偶合
6)  magnetic spin
磁偶自旋
补充资料:自偶电离

溶剂(不一定是水),产生溶剂和阴离子,溶剂和阳离子的过程

例如:brf3 + brf3=> brf4- + brf2+

nh3+nh3=> nh4++nh2-

ch3ch2oh+ch3ch2oh=> ch3ch2oh2++ch3ch2o-

说明:补充资料仅用于学习参考,请勿用于其它任何用途。
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