The Journal of Physical Chemistry A· 2013Q2
Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space
- 682citations
- Q2SCImago
- 2013year
Short summary
A new Laplacian bond order (LBO) metric, derived from the negative Laplacian of electron density in fuzzy overlap space, correlates directly with bond polarity, dissociation energy, and vibrational frequency.
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Physical and Theoretical ChemistryChemistry