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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最好中文稍作解释下,否则翻译得也不知道对不对!