C. David Sherrill
= C. David Sherrill
{c}
<C. David Sherrill> coauthored electronic-structure calculations of the <benzene dimer>. The work compares T-shaped and parallel-displaced arrangements and estimates their interaction energies near the computational basis-set limit.
Two aromatic molecules need not favour a perfectly face-centred stack. Comparing several geometries with electron-correlation methods helps distinguish the effects of electrostatics and dispersion in a noncovalent contact.<Estimates of the Ab Initio Limit for π–π Interactions: The Benzene Dimer by Mutasem Omar Sinnokrot and others>[Abstract: benzene-dimer minima and correlated binding energies]{ref}
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