Michael J. Frisch

Determination of absolute configuration using optical rotation calculated using density functional theory.

M. Frisch, P. Stephens, F. Devlin, 2002, Organic letters.

Determination of the absolute configuration of [3(2)](1,4)barrelenophanedicarbonitrile using concerted time-dependent density functional theory calculations of optical rotation and electronic circular dichroism.

M. Frisch, P. Stephens, D. McCann, 2004, Journal of the American Chemical Society.