Authors:
Pokon, EK
Liptak, MD
Feldgus, S
Shields, GC
Citation: Ek. Pokon et al., Comparison of CBS-QB3, CBS-APNO, and G3 predictions of gas phase deprotonation data, J PHYS CH A, 105(45), 2001, pp. 10483-10487
Citation: S. Feldgus et Cr. Landis, Origin of enantioreversal in the rhodium-catalyzed asymmetric hydrogenation of prochiral enamides and the effect of the alpha-substituent, ORGANOMETAL, 20(11), 2001, pp. 2374-2386
Citation: S. Feldgus et Gc. Shields, An ONIOM study of the Bergman reaction: a computationally efficient and accurate method for modeling the enediyne anticancer antibiotics, CHEM P LETT, 347(4-6), 2001, pp. 505-511
Citation: Cr. Landis et S. Feldgus, A simple model for the origin of enantioselection and the anti "lock-and-key" motif in asymmetric hydrogenation of enamides as catalyzed by chiral diphosphine complexes of Rh(I), ANGEW CHEM, 39(16), 2000, pp. 2863-2866
Authors:
Landis, CR
Feldgus, S
Uddin, J
Wozniak, CE
Moloy, KG
Citation: Cr. Landis et al., Computational assessment of the effect of sigma-pi bonding synergy and reorganization energies on experimental trends in rhodium-phosphine bond enthalpies, ORGANOMETAL, 19(23), 2000, pp. 4878-4886
Citation: S. Feldgus et Cr. Landis, Large-scale computational modeling of [Rh(DuPHOS)](+)-catalyzed hydrogenation of prochiral enamides: Reaction pathways and the origin of enantioselection, J AM CHEM S, 122(51), 2000, pp. 12714-12727
Citation: Cr. Landis et al., Structures and reaction pathways in rhodium(I)-catalyzed hydrogenation of enamides: A model DFT study, J AM CHEM S, 121(38), 1999, pp. 8741-8754