Current Organic Synthesis, Volume 13 (E-pub ahead of print)Author(s): Shuhei Yamakoshi, Masako Okamoto, Hiroaki Sawamoto, Yuuki Arai, Eiji Kawanishi, Michiko Sasaki and Kei Takeda.Affiliation: Department of Synthetic Organic Chemistry, Institute of Biomedical and Health Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8553, Japan.
Abstract
A combination of DFT calculations and MD simulations provides a powerful tool for selecting the most favorable precursor in...