Chirality
2005, Volume 17, Issue S1, pages S52–S64
Determination of absolute configurations of chiral molecules using ab initio time-dependent Density Functional Theory calculations of optical rotation: How reliable are absolute configurations obtained for molecules with small rotations?
P.J. Stephens, D.M. McCann, J.R. Cheeseman, M.J. Frisch
- DOI:
http://dx.doi.org/10.1002/chir.20109
