Abstract：The optmum symmetry orbital methods, including the MOSMO method and calculation method of the maximum overlap population principle etc., have been applied to conformation analysis of CHP(O)OCH_2CH_2N (CH_3)_3 molecule and calculation of the corresponding net atomic charges. The calculated results show that the P and N atoms are indeed the two center with positive net charges and the distance between the two center is 9.4804 nm which is quite similar to the case of Acetylcholine mclecule and,which lead us to understand the higher activity (pI_(50)=10.0).
收稿日期: 1993-04-25
引用本文:
陈其民,湛昌国,郑芳,刘钊杰,贺红武. 胆碱基甲基氟膦酸酯的结构和生物活性的优化对称性轨道研究[J]. , 1993, 32(4): 0-0.
陈其民,湛昌国,郑芳,刘钊杰,贺红武. OPTIMLIJM SYMMETRY ORBITAL STUDY ON THE SFRUCTURE AND ACTIVITY OF CH3P(O)OCH2CHzN(CH3)3. , 1993, 32(4): 0-0.
