Ethane Preferred Conformation

Authors

Vojislava Pophristric Department of Chemistry, Rutgers University

Publication Date

4/13/04

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Abstract

In chemistry (as well as biology and medicine), the concept of molecular structure is axiomatic; its status is essentially that of a cornerstone for predicting and understanding diverse molecular phenomena. Consequently, a lot of attention has been paid to developing molecular geometry predictive computational methods. Despite the ability of modern large-scale ab initio calculations to accurately predict molecular geometries (in small-size and medium-size molecules), the forces that control the preferred conformer shape remain only partially appreciated.