【摘要】 用量子化学计算从头算的HartreeFock方法,在6-31G基组水平上,对甜味剂天冬氨酰苯丙氨酰甲酯Aspartame及其类似物H—(S)—Asp(1R,2R)—c6Phe—OMe进行了研究.经几何优化得到了它们的稳定构象.用Fukui指数分析了分子中原子的反应性.根据分子的结构特征对甜味剂与受体的作用模式进行了分析.更多还原

【Abstract】 A study with the quantum chemistry ab initio method, at the Hatree Fock/6-31G level, for the sweet compounds: aspartame（H—（S）—Asp（S）—Phe—OMe） and its analogues H—（S）—Asp（1R,2R）—c₆Phe—Ome,has been carried out. Their conformation has been calculated. The reactivity is analyzed in terms of the Fukui indices and the analysis for the interaction model between the sweeters and their receptors is comeucted.更多还原