ON THE STABILITY OF CONFORMERS
PIELA L, OLSZEWSKI KA, PILLARDY J
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 114: 229-239 MAY 10 1994

Document type: Article

Language: English

Abstract:
In any theoretical approach to large molecules, one faces the problem of how to find the most stable conformers. It is extremely difficult to predict them, because of the large number of high energy conformers, which in general cannot be excluded from a priori consideration. In the present article, this problem is discussed and the theoretical methods designed to find the global minimum of the conformational energy are reviewed.