kcal/mol, est. CCSD(T)/aug-cc-pVTZ

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kcal/mol, est. CCSD(T)/aug-cc-pVTZ Theoretical Investigations of the Nature of p-p Interactions C. David Sherrill, School of Chemistry and Biochemistry, Georgia Institute of Technology Atlanta, GA 30332-0400 Substituent Effects 2.53 1.39 kcal/mol, est. CCSD(T)/aug-cc-pVTZ Comparison of aromatic and aliphatic CH/p interactions J. Phys. Chem. A, 110, 10822 (2006) Best theory: 49.4 kJ/mol Experiment: 43-47 kJ/mol Sublimation Energy of Crystalline Benzene First accurate, first-principles computation of a lattice energy for an organic crystal. Chem. Eur. J. 14, 2542 (2008)