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Start Over Author "Edoardo Apra" Journal physical chemistry chemical physics
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1. A critical comparison of CH⋯π versus π⋯π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods

Author

Sotiris Xantheas, Edoardo Apra, and Kristina Herman

Subjects
General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract

We have established CCSD(T)/CBS (Complete Basis Set) limits for 3 stationary points on the benzene dimer potential energy surface and used them to evaluate to assess the accuracy of numerous lower scaling methods for both the structures and energetics.

Published
2023
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