Comparison of radial distribution function for silica glass with those for various bonding topologies: Use of correlation function

MRD-CI potential surfaces using balanced

MRD-CI potential surfaces using balanced basis sets. VI. Correlation of bond order with bond function composition for first-row diatomic molecules

✍ V. J. Barclay; James S. Wright 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 672 KB

## Abstract This article presents theoretical calculations on bond energies for the first‐row diatomics C~2~, CN, CO, CF, N~2~, NO, NF, O~2~, FO, and F~2~, which vary in bond order from one to three. The atomic‐centered basis functions are systematically augmented with bond functions (BFs), which r