Kelli S. Khuong, Ph.D.
Affiliations: | 2004 | University of California, Los Angeles, Los Angeles, CA |
Area:
theoretical and computational organic chemistryGoogle:
"Kelli Khuong"Mean distance: 7.75 | S | N | B | C | P |
Parents
Sign in to add mentor| Kendall N. Houk | grad student | 2004 | UCLA | |
| (Cycloadditions of diazabicyclooctenes, tethered cyclobutadienes, and styrene: Computational investigations on the concerted/diradical frontier.) | ||||
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Publications
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| Caramella P, Quadrelli P, Toma L, et al. (2005) The three corrugated surfaces of 1,4-divinyltetramethylene diradical intermediates and their connections to 1,2-divinylcyclobutane, 4-vinylcyclohexene, 1,5-cyclooctadiene, and two butadienes. The Journal of Organic Chemistry. 70: 2994-3008 |
| Khuong KS, Beaudry CM, Trauner D, et al. (2005) Dienophile twisting and substituent effects influence reaction rates of intramolecular Diels-Alder cycloadditions: a DFT study. Journal of the American Chemical Society. 127: 3688-9 |
| Khuong KS, Jones WH, Pryor WA, et al. (2005) The mechanism of the self-initiated thermal polymerization of styrene. Theoretical solution of a classic problem. Journal of the American Chemical Society. 127: 1265-77 |
| Guner VA, Khuong KS, Houk KN, et al. (2004) The Performance of the Handy/Cohen Functionals, OLYP and O3LYP, for the Computation of Hydrocarbon Pericyclic Reaction Activation Barriers Journal of Physical Chemistry A. 108: 2959-2965 |
| Limanto J, Khuong KS, Houk KN, et al. (2003) Intramolecular cycloadditions of cyclobutadiene with dienes: experimental and computational studies of the competing (2 + 2) and (4 + 2) modes of reaction. Journal of the American Chemical Society. 125: 16310-21 |
| Khuong KS, Houk KN. (2003) One-bond, two-bond, and three-bond mechanisms in thermal deazetizations of 2,3-diazabicyclo[2.2.2]oct-2-enes, trans-azomethane, and 2,3-diazabicyclo[2.2.1]hept-2-ene. Journal of the American Chemical Society. 125: 14867-83 |
| Khaledy MM, Kalani MY, Khuong KS, et al. (2003) Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study. The Journal of Organic Chemistry. 68: 572-7 |
| Guner V, Khuong KS, Leach AG, et al. (2003) A Standard Set of Pericyclic Reactions of Hydrocarbons for the Benchmarking of Computational Methods: The Performance of ab Initio, Density Functional, CASSCF, CASPT2, and CBS-QB3 Methods for the Prediction of Activation Barriers, Reaction Energetics, and Transition State Geometries Journal of Physical Chemistry A. 107: 11445-11459 |
| Limanto J, Tallarico JA, Porter JR, et al. (2002) Intramolecular cycloadditions of cyclobutadiene with olefins. Journal of the American Chemical Society. 124: 14748-58 |