Rosalie Peck

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Questions related from Rosalie Peck

What role, if any, does the weighting factor 1/(mn)^1/2 play in calculating the molecular connectivity index from the geometric distance matrix?

where m and n are the valencies of the atoms making up each bond. In the paper "Development of 3-Dimensional Molecular Descriptors" Computers Chem. Vol. 14, No.3 pp. 237-246, 1990, the authors...

10 September 2018 7,364 0 View

How to calculate molecular connectivity index from geometric distance matrix?

I have been trying to calculate the molecular connectivity indices for Cis-butadiene and Trans-butadiene given as 1.9908 and 1.9558 on page 141 of Concepts and applications of molecular...

06 September 2018 7,028 1 View