Article ID Journal Published Year Pages File Type
5391525 Chemical Physics Letters 2007 6 Pages PDF
Abstract
We have optimized the geometries of the main conformations on the benzene dimer at the QCISD(T)/aug-cc-pVTZ level. For each optimized geometry, single point energies were evaluated at the QCISD(T)/aug-cc-pVxZ level, where x = D,T,Q.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
High accuracy benchmark calculations on the benzene dimer potential energy surface
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