Hot off the press:

High-Throughput in Silico Structure Validation and Revision of Halogenated Natural Products Is Enabled by Parametric Corrections to DFT-Computed 13C NMR Chemical Shifts and Spin-Spin Coupling Constants. Kutateladze, A.G.; Reddy, D.S. J. Org. Chem., 2017, 82, (7), 3368-3381. [DOI: 10.1021/acs.joc.7b00188] Local PDF copy

Structure Determination and Mechanism of Formation of a seco-Moreliane Derivative Supported by Computational Analysis. Chacon Morales, P.A.; Amaro-Luis, J.M.; Kutateladze, A.G. J. Nat. Prod., 2017, 80, (4), 1210-1214. [DOI: 10.1021/acs.jnatprod.7b00041] Local PDF copy

...more publications

Organic Club

All interested undergraduate and graduate students are welcome to attend the lunch meetings of the Club (Tuesdays, noon-1pm, Chem. Conf. Room). Mediators: Drs. Cowen, Michel, Ichire, and Kutateladze. Solve cool electron pushing problems, hear current literature presentations, learn about named reactions and more.

Current week presentation: Brandon

Rapid Photoassisted Access to Complex Molecular Architectures

Relativistic Force Field (RFF)

Fast and accurate calculations of nuclear spin-spin coupling constants