Based on the characteristics of molecular structure, the distancematrix was used to characterize the connectivity of the atoms in the molecule.
根据分子结构的特点,用距离矩阵表征分子中原子的连接性。
2
On the basis of the principle, the OET (orbital-energy topological index) was proposed by revising the valence electron distancematrix with the orbital energy.
根据该原理,利用价电子轨道能量对价电子距离矩阵进行修正。
3
Based on the shortest path problem and classical absolute center model, an algorithm of absolute center problem is discussed, by using the least distancematrix and the optimum path matrix.