Geminal相关论文
Influence of steric and intramolecular inductive effects on the variable trends in R-X (R=Alkyl) bon
The question 'why are the variation trends of R-X bond dissociation energy different?' is answered. The R-X bond......
发展了一套孪函数多电子基向Slater行列式的展开方法,并得到展开系数的解析表达式,使得孪函数多电子基直接与Harterr-Fock从头计算相关联。......