Fu, A.; List, B.; Thiel, W. Density Functional Study of Enantioselectivity in the 2-Methylproline-Catalyzed α-Alkylation of Aldehydes. The Journal of Organic Chemistry2006, 71, 320–326.
Fu, A.; Thiel, W. Density Functional Study of Noncovalent Catalysis of the Diels-Alder Reaction by the Neutral Hydrogen Bond Donors Thiourea and Urea. Journal of Molecular Structure-Theochem2006, 765, 45–52.
Fu, A.; Li, H.; Du, D.; Zhou, Z. Density Functional Study on the Reaction Mechanism of Proton Transfer in 2-Pyridone: Effect of Hydration and Self-Association. Journal of Physical Chemistry A2005, 109, 1468–1477.
Fu, A.; Li, H.; Zhou, Z.; Feng, D. Study of the Diacetamide-Water Dimer with Ab Initio and Density Functional Theory Methods. Chemical Physics2004, 299, 57–66.
Shalini Yadav, a postdoctoral researcher at the Max-Planck-Institut für Kohlenforschung, has received the Alexander von Humboldt Fellowship to advance her computational chemistry research on enzymes.
