Valero, Rosendo; Song, Lingchun; Gao, Jiali; Truhlar, Donald G. published an article about the compound: 2-Chloroethyl acetate( cas:542-58-5,SMILESS:CC(OCCCl)=O ).Formula: C4H7ClO2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:542-58-5) through the article.
Diabatic models are widely employed for studying chem. reactivity in condensed phases and enzymes, but there has been little discussion of the pros and cons of various diabatic representations for this purpose. Here the authors discuss and contrast six different schemes for computing diabatic potentials for a charge rearrangement reaction.
In addition to the literature in the link below, there is a lot of literature about this compound(2-Chloroethyl acetate)Formula: C4H7ClO2, illustrating the importance and wide applicability of this compound(542-58-5).