Title : Accurate evaluation of the resonance energies of benzene and pyridine via cyclic reference state.

Pub. Date : 2012 Dec 5

PMID : 23093113






1 Functional Relationships(s)
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1 Based on high level coupled-cluster (estimated CCSD(T)/CBS) computations it was concluded that benzene is more aromatic/stable than pyridine by 2.2 kcal mol(-1). pyridine cystathionine beta-synthase Homo sapiens