Taoyi Chen, Thomas A. Manz
Abstract
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Bond orders were computed for 288 diatomics, and a new bond order component analysis (BOCA) was applied to selected diatomics.
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Bond orders were computed for 288 diatomics, and a new bond order component analysis (BOCA) was applied to selected diatomics.
Key concepts: Diatomic molecule, Molecule, Bond, Bond order, Bond length, Chemistry, Computational chemistry, Materials science