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Collect. Czech. Chem. Commun. 2008, 73, 1495-1508
https://doi.org/10.1135/cccc20081495

BO3 Molecular Structures: Examples of the Importance of Electron Correlation

Alexander Yu. Sokolov, Nathan J. Stibrich and Henry F. Schaefer, III*

Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, U.S.A.

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  • Ludeña E. V., Echevarría L., Lopez X., Ugalde J. M.: Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure. The Journal of Chemical Physics 2012, 136, 084103. <https://doi.org/10.1063/1.3682244>