One of our research interests is organcatalysis and organometallic reactions for asymmetric synthesis with the interface of experimental organic synthesis and computational chemistry. Developing organic methodologies using both synthetic and computational investigations are a substantial priority to target predictions and designs of new efficient reactions, reagents, and catalysts. Understanding reaction mechanisms, origin of asymmetric inductions using high-level density functional theory (DFT) simulations, and molecular dynamics in accord with experimental observations are prime of importance. Solving problems in organic and (bio)organic chemistry by computational chemistry simulations are conducted in my collaborative research.

Aqeel A. Hussein's public data