Article ID Journal Published Year Pages File Type
5394442 Computational and Theoretical Chemistry 2012 5 Pages PDF
Abstract
► P⋯N bond strength extrapolated to complete basis set limit. ► Variety of bond strengths considered. ► Accuracy of simple non-extrapolated methods evaluated. ► Counterpoise corrections required for reliability.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Extrapolation to the complete basis set limit for binding energies of noncovalent interactions
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