A comparison of conformational energies
✍
Klaus Gundertofte; Jonas Palm; Ingrid Pettersson; Anders Stamvik
📂
Article
📅
1991
🏛
John Wiley and Sons
🌐
English
⚖ 778 KB
Conformational energies of different conformers have been calculated for a series of molecules using various molecular mechanics and semiempirical methods. The quality of the force fields has also been tested by calculating barriers to rotation about carbon-carbon bonds. The molecular mechanics forc