Abstract
The results of ab-initio molecular self-consistent field calculations with atomic optimized Gaussian bases are reported for the B2O3 molecule. These distinguish between several plausible structures and yield a V-shaped structure as the minimum energy geometry.
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This work was supported by the National Science Foundation program of Research Participation for College Teachers, Grant No. GY-5404, and by the Air Force Office of Scientific Research, Grant No. AFOSR-68-1438.
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Chiang, J.F., Whitman, D.R. MO-SCF calculations for B2O3 . Theoret. Chim. Acta 17, 155–157 (1970). https://doi.org/10.1007/BF00527361
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DOI: https://doi.org/10.1007/BF00527361