Acta Chimica Sinica ›› 1986, Vol. 44 ›› Issue (6): 623-626. Previous Articles     Next Articles

Original Articles

势能面特征与过渡态熵及A因子

居冠之;冯大诚   

  1. 山东大学理论化学研究所
  • 出版日期:1986-06-15 发布日期:1986-06-15

Features of potential energy surfaces and their transition state entropies and A-factors

JU GUANZHI;FENG DACHENG   

  • Online:1986-06-15 Published:1986-06-15

Key words: CALCULATION, ENTROPY, POTENTIAL ENERGY, AB INITIO CALCULATION, REACTION RATE CONSTANT, TRANSITION STATE THEORY, POTENTIAL BARRIER, FACTOR ANALYSIS, SEMIEMPIRICAL EQUATIONS, POTENTIAL ENERGY SURFACES

CLC Number: