1. Theoretical Investigations of the Nature of p-p Interactions C
Theoretical Investigations of the Nature of p-p Interactions C. David Sherrill, School of Chemistry and Biochemistry, Georgia Institute of Technology Atlanta, GA
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Substituent Effects are not Goverened by Electrostatics. J. Am. Chem. Soc. 131, (2009)
Best theory: kJ/mol Experiment: 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)