G. Frenking, K. Köhler, M. Reetz
May 7, 1993
Citations
0
Influential Citations
12
Citations
Journal
Tetrahedron
Abstract
Abstract The rotational profiles of 2-methoxypropanal and 2-N,N-dimethyl-aminopropanal are theoretically predicted using ab initio methods at the MP2/6-31G*//3-21G level of theory. The conformational energies show a strong dependence on the torsion angle not only around the CC bond but also around the CR (ROMe, NMe2) bond.