Ethene, benzene, ethylbenzene, and pyridine are chosen to represent reactions of various adsorbates of aliphatic, aromatic and heterocyclic compounds. Among the four combined methods, (MP2:M06-2X) outperforms the others.
Ethene, benzene, ethylbenzene, andpyridine are chosen to represent reactions of various adsorbates of aliphatic, aromatic and heterocyclic compounds.Among the four combined methods, (MP2:M06-2X) outperforms the others.