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This is a Quantitative Study study.

Understanding energetics of bond formation and bond rotation with density functional theory and valence bond theory

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Analysis reveals electrostatic energy drives bond formation and rotation across diatomic molecules, suggesting unified insights.

Electrostatic energy is the dominant contributor to bond formation and rotation in most cases.
Nuclear–electron attraction often leads within electrostatic contributions, but not always.
Different interactions dominate at various stages of bond formation in molecular systems.
Steric effects positively contribute to energy decreases due to spatial constraints in multi-electron systems.

An et al. (2025) studied this question.

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