英语翻译3种氨基酸的基本结构CF1、CF2和CF3作为基础,作出缬氨酸的9种分子构型图,缬氨酸电子亲和势的计算用密度泛函理论的3种方法B3LYP、B3P86和B3PW91,分别讨论分析同种基组6-311++G**不同方法

英语翻译3种氨基酸的基本结构CF1、CF2和CF3作为基础,作出缬氨酸的9种分子构型图,缬氨酸电子亲和势的计算用密度泛函理论的3种方法B3LYP、B3P86和B3PW91,分别讨论分析同种基组6-311++G**不同方法
英语翻译
3种氨基酸的基本结构CF1、CF2和CF3作为基础,作出缬氨酸的9种分子构型图,缬氨酸电子亲和势的计算用密度泛函理论的3种方法B3LYP、B3P86和B3PW91,分别讨论分析同种基组6-311++G**不同方法和同一方法B3LYP不同基组的相对能量、绝热电子亲和势和垂直电子亲和势大小、最稳定和最不稳定的结构以及B3LYP中6-311++G**基组的CF31结构的键长、二面角在由中性状态下到优化负离子改变度的分析.
As the foundation of 3 kinds of amino acids in the basic structure of CF1 ,CF2 and CF3,make nine kinds of molecular configuration of valine .Valine electron affinity calculations using density functional theory 3 kinds of methods of B3LYP,B3P86 and B3PW91 .Discusses the analysis of radical group 6-311++G**different methods and the same method of B3LYP different basics sets the relative energy,the most stable and the most unstable structure and the radical group of B3LYP by the method 6-311++G**basis set CF31 structure of bond length,dihedral in the neutral state to optimize the negative ion change degree analysis.
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英语翻译3种氨基酸的基本结构CF1、CF2和CF3作为基础,作出缬氨酸的9种分子构型图,缬氨酸电子亲和势的计算用密度泛函理论的3种方法B3LYP、B3P86和B3PW91,分别讨论分析同种基组6-311++G**不同方法
The basic structure of three kinds of amino acids CF1, CF2 and CF3 as the base, and make valine 9 kinds of molecular configuration diagram, valine affinity with the calculation of potential electronic density functional theory of the three methods B3LYP, B3P86 and B3PW91, respectively discussing analysis, the same group 6-311 + + G * * different methods and the same method B3LYP different base of the relative energy and heat insulation of electronic and potential and vertical electronic affinity potential size, the most stable and the most unstable structure and in B3LYP 6-311 + + G * * and the structure of the key CF31 group long, in neutral state by planes to optimize the analysis of the negative ion change degrees.
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